2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide

C12H25N3O — CID 104677967

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
SMILESNCCCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C12H25N3O/c13-7-4-8-15-11(16)9-12(10-14)5-2-1-3-6-12/h1-10,13-14H2,(H,15,16)
InChIKeyFKMUZZMLEFGYBH-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.75
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide (PubChem CID 104677967) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
PubChem CID104677967
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
SMILESNCCCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C12H25N3O/c13-7-4-8-15-11(16)9-12(10-14)5-2-1-3-6-12/h1-10,13-14H2,(H,15,16)
InChIKeyFKMUZZMLEFGYBH-UHFFFAOYSA-N
XLogP0.75
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090
2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide
CID 104678084
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350
ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 113440176
2-[1-(aminomethyl)cyclobutyl]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 81169440
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide (CID 104677967) is 2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide is NCCCNC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide?
The InChIKey is FKMUZZMLEFGYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c13-7-4-8-15-11(16)9-12(10-14)5-2-1-3-6-12/h1-10,13-14H2,(H,15,16).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide is sourced from PubChem (CID 104677967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).