N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine

C13H28N2 — CID 154972163

IUPACN-[[3-(aminomethyl)cyclononyl]methyl]ethanamine
SMILESCCNCC1CCCCCCC(CN)C1
InChIInChI=1S/C13H28N2/c1-2-15-11-13-8-6-4-3-5-7-12(9-13)10-14/h12-13,15H,2-11,14H2,1H3
InChIKeyYFYZJZSYOULWTC-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.53
Rot. Bonds4

About N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine

N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine (PubChem CID 154972163) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)cyclononyl]methyl]ethanamine
PubChem CID154972163
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[[3-(aminomethyl)cyclononyl]methyl]ethanamine
SMILESCCNCC1CCCCCCC(CN)C1
InChIInChI=1S/C13H28N2/c1-2-15-11-13-8-6-4-3-5-7-12(9-13)10-14/h12-13,15H,2-11,14H2,1H3
InChIKeyYFYZJZSYOULWTC-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine
CID 142040832
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006
cyclohexylmethanamine;methanol
CID 70430105
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
N-[[3-(aminomethyl)cyclohexyl]methyl]formamide
CID 87717758
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455
[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
CID 145151914
1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one
CID 98010324
cyclohexanamine;N-ethylbutan-1-amine
CID 22649799
cyclohexylmethanamine;hydrochloride
CID 3039618
cyclohexylmethanamine;hydrobromide
CID 13001131
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
CID 124563459

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine?
The IUPAC name of N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine (CID 154972163) is N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine is CCNCC1CCCCCCC(CN)C1.
What is the InChIKey of N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine?
The InChIKey is YFYZJZSYOULWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-2-15-11-13-8-6-4-3-5-7-12(9-13)10-14/h12-13,15H,2-11,14H2,1H3.
What are the key properties of N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine?
N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine has a molecular weight of 212.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine is sourced from PubChem (CID 154972163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).