N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide

C16H32N2O — CID 90979267

IUPACN-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(CC(C)(C)C)CC1(C)C
InChIInChI=1S/C16H32N2O/c1-14(2,3)11-16(12-15(16,4)5)13(19)17-9-8-10-18(6)7/h8-12H2,1-7H3,(H,17,19)
InChIKeyJBWFRMWHXHMDQS-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.91
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide

N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 90979267) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID90979267
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(CC(C)(C)C)CC1(C)C
InChIInChI=1S/C16H32N2O/c1-14(2,3)11-16(12-15(16,4)5)13(19)17-9-8-10-18(6)7/h8-12H2,1-7H3,(H,17,19)
InChIKeyJBWFRMWHXHMDQS-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane
CID 142377264
1-(2,2-dimethylpropyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
CID 142377280
1-(aminomethyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587383
1-[3-(dimethylamino)propyl]-3-pentylurea
CID 108988347
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
CID 114328555
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108957385
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
1-[3-(dimethylamino)propyl]-3-ethylurea;hydrate
CID 175591595
(E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide
CID 176757876
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 90979267) is N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide is CN(C)CCCNC(=O)C1(CC(C)(C)C)CC1(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is JBWFRMWHXHMDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2,3)11-16(12-15(16,4)5)13(19)17-9-8-10-18(6)7/h8-12H2,1-7H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 90979267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).