N-[[3-(aminomethyl)cyclohexyl]methyl]formamide

C9H18N2O — CID 87717758

IUPACN-[[3-(aminomethyl)cyclohexyl]methyl]formamide
SMILESNCC1CCCC(CNC=O)C1
InChIInChI=1S/C9H18N2O/c10-5-8-2-1-3-9(4-8)6-11-7-12/h7-9H,1-6,10H2,(H,11,12)
InChIKeyNABSWECIXDIQKQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.50
Rot. Bonds4

About N-[[3-(aminomethyl)cyclohexyl]methyl]formamide

N-[[3-(aminomethyl)cyclohexyl]methyl]formamide (PubChem CID 87717758) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[[3-(aminomethyl)cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)cyclohexyl]methyl]formamide
PubChem CID87717758
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[[3-(aminomethyl)cyclohexyl]methyl]formamide
SMILESNCC1CCCC(CNC=O)C1
InChIInChI=1S/C9H18N2O/c10-5-8-2-1-3-9(4-8)6-11-7-12/h7-9H,1-6,10H2,(H,11,12)
InChIKeyNABSWECIXDIQKQ-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]formamide?
The IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]formamide (CID 87717758) is N-[[3-(aminomethyl)cyclohexyl]methyl]formamide.
What is the SMILES notation for N-[[3-(aminomethyl)cyclohexyl]methyl]formamide?
The canonical SMILES for N-[[3-(aminomethyl)cyclohexyl]methyl]formamide is NCC1CCCC(CNC=O)C1.
What is the InChIKey of N-[[3-(aminomethyl)cyclohexyl]methyl]formamide?
The InChIKey is NABSWECIXDIQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-5-8-2-1-3-9(4-8)6-11-7-12/h7-9H,1-6,10H2,(H,11,12).
What are the key properties of N-[[3-(aminomethyl)cyclohexyl]methyl]formamide?
N-[[3-(aminomethyl)cyclohexyl]methyl]formamide has a molecular weight of 170.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)cyclohexyl]methyl]formamide is sourced from PubChem (CID 87717758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).