N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide

C14H28N2O — CID 114231575

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC1CCC(CN)CC1
InChIInChI=1S/C14H28N2O/c1-11(2)3-8-14(17)16-10-13-6-4-12(9-15)5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyQYBUNZWPMCDTDN-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.30
Rot. Bonds6

About N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide

N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide (PubChem CID 114231575) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
PubChem CID114231575
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC1CCC(CN)CC1
InChIInChI=1S/C14H28N2O/c1-11(2)3-8-14(17)16-10-13-6-4-12(9-15)5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyQYBUNZWPMCDTDN-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide
CID 106134835
4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882
N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide
CID 106128914
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594
4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
CID 120561038
N-[(4-aminocyclohexyl)methyl]-4-methoxypentanamide
CID 106124719
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
CID 119898914
4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide
CID 106135446
4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide
CID 166370520
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide (CID 114231575) is N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide is CC(C)CCC(=O)NCC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide?
The InChIKey is QYBUNZWPMCDTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)3-8-14(17)16-10-13-6-4-12(9-15)5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide?
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide is sourced from PubChem (CID 114231575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).