N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide

C14H28N2O — CID 103883917

IUPACN,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide
SMILESCC1CCCC(CNCCCC(=O)N(C)C)C1
InChIInChI=1S/C14H28N2O/c1-12-6-4-7-13(10-12)11-15-9-5-8-14(17)16(2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyVDPWTJTUTNITFG-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds6

About N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide

N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide (PubChem CID 103883917) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide
PubChem CID103883917
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide
SMILESCC1CCCC(CNCCCC(=O)N(C)C)C1
InChIInChI=1S/C14H28N2O/c1-12-6-4-7-13(10-12)11-15-9-5-8-14(17)16(2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyVDPWTJTUTNITFG-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
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

N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide
CID 107412884
4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide
CID 106133750
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660
4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119750255
N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide
CID 80599931
4-(cyclobutylamino)-N,N-dimethylbutanamide
CID 62415155
2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103710561
N,N-dimethyl-4-[(2-methylcyclopentyl)amino]butanamide
CID 63278012
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412716

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide?
The IUPAC name of N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide (CID 103883917) is N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide?
The canonical SMILES for N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide is CC1CCCC(CNCCCC(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide?
The InChIKey is VDPWTJTUTNITFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-6-4-7-13(10-12)11-15-9-5-8-14(17)16(2)3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide?
N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide has a molecular weight of 240.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide is sourced from PubChem (CID 103883917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).