N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide

C15H28N2O — CID 90912916

IUPACN-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide
SMILESC=C1CCC(N(CCCN(C)C)C(=O)CC)CC1
InChIInChI=1S/C15H28N2O/c1-5-15(18)17(12-6-11-16(3)4)14-9-7-13(2)8-10-14/h14H,2,5-12H2,1,3-4H3
InChIKeyVRNSOQSUWZTHEL-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.68
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide

N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide (PubChem CID 90912916) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide
PubChem CID90912916
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide
SMILESC=C1CCC(N(CCCN(C)C)C(=O)CC)CC1
InChIInChI=1S/C15H28N2O/c1-5-15(18)17(12-6-11-16(3)4)14-9-7-13(2)8-10-14/h14H,2,5-12H2,1,3-4H3
InChIKeyVRNSOQSUWZTHEL-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-5-ethyl-2-methyl-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 53955610
1-(4-Methylidenecyclohexyl)pyrrolidin-2-one
CID 58902743
N-(4-methylidenecyclohexyl)propanamide
CID 58902762
1-[4-(4-Methylidenecyclohexyl)piperazin-1-yl]ethanone
CID 58902777
N-cyclohexyl-N-methyl-4-methylideneheptanamide
CID 70253368
1-[(2S)-2-prop-1-en-2-ylpyrrolidin-1-yl]propan-1-one
CID 88993328
N-methyl-N-(3-methylidenecyclohexyl)acetamide
CID 90986487
1-(2-Prop-1-en-2-ylpiperidin-1-yl)ethanone
CID 91499746
1-(2-Ethyl-4-methylidenepiperidin-1-yl)ethanone
CID 121367272
N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)acetamide
CID 123351392
Ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one
CID 123551438
N-methyl-3-[(2-methylidenecyclohexyl)amino]-N-(2-methylpropyl)propanamide
CID 123849015

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide (CID 90912916) is N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide is C=C1CCC(N(CCCN(C)C)C(=O)CC)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide?
The InChIKey is VRNSOQSUWZTHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-15(18)17(12-6-11-16(3)4)14-9-7-13(2)8-10-14/h14H,2,5-12H2,1,3-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide?
N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide has a molecular weight of 252.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide is sourced from PubChem (CID 90912916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).