trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C18H32N2O — CID 95146570

IUPACtrans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@@H](C(=O)NCC2(N(C)C)CCCC2)C1(C)C
InChIInChI=1S/C18H32N2O/c1-13(2)11-14-15(17(14,3)4)16(21)19-12-18(20(5)6)9-7-8-10-18/h11,14-15H,7-10,12H2,1-6H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyMAKIAOUYPWNPJN-GJZGRUSLSA-N
MW292.47 g/mol
LogP3.22
Rot. Bonds5

About trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 95146570) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID95146570
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Nametrans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@@H](C(=O)NCC2(N(C)C)CCCC2)C1(C)C
InChIInChI=1S/C18H32N2O/c1-13(2)11-14-15(17(14,3)4)16(21)19-12-18(20(5)6)9-7-8-10-18/h11,14-15H,7-10,12H2,1-6H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyMAKIAOUYPWNPJN-GJZGRUSLSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,3R)-N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 99809438
trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100842702
methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate
CID 94183727
2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 60566304
N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47148517
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51671181
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 94657626
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 94657623
trans-(1S,3R)-N-[(2S,4R)-4-hydroxy-2-methylpentyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100852278
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 75537852
(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 95146570) is trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@H]1[C@@H](C(=O)NCC2(N(C)C)CCCC2)C1(C)C.
What is the InChIKey of trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is MAKIAOUYPWNPJN-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13(2)11-14-15(17(14,3)4)16(21)19-12-18(20(5)6)9-7-8-10-18/h11,14-15H,7-10,12H2,1-6H3,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95146570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).