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

C10H20N2O — CID 45119594

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(CN)CC1
InChIInChI=1S/C10H20N2O/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h9-10H,2-7,11H2,1H3,(H,12,13)
InChIKeyUZTLPOFREQFWDQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.89
Rot. Bonds3

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

N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide (PubChem CID 45119594) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
PubChem CID45119594
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(CN)CC1
InChIInChI=1S/C10H20N2O/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h9-10H,2-7,11H2,1H3,(H,12,13)
InChIKeyUZTLPOFREQFWDQ-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one
CID 143490450
N-(thian-4-ylmethyl)acetamide
CID 91415666
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
CID 114231575
[4-(acetamidomethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 58651922
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
[4-(acetamidomethyl)cyclohexyl] nitrate
CID 15133129
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate
CID 174642719

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide (CID 45119594) is N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide is CC(=O)NCC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide?
The InChIKey is UZTLPOFREQFWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h9-10H,2-7,11H2,1H3,(H,12,13).
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide?
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide has a molecular weight of 184.28 g/mol, XLogP of 0.89, 3 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]acetamide is sourced from PubChem (CID 45119594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).