1-[1-(aminomethyl)cyclohexyl]ethanamine

C9H20N2 — CID 22174595

IUPAC1-[1-(aminomethyl)cyclohexyl]ethanamine
SMILESCC(N)C1(CN)CCCCC1
InChIInChI=1S/C9H20N2/c1-8(11)9(7-10)5-3-2-4-6-9/h8H,2-7,10-11H2,1H3
InChIKeyNXKKGHDTZIWPLB-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.24
Rot. Bonds2

About 1-[1-(aminomethyl)cyclohexyl]ethanamine

1-[1-(aminomethyl)cyclohexyl]ethanamine (PubChem CID 22174595) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]ethanamine
PubChem CID22174595
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-[1-(aminomethyl)cyclohexyl]ethanamine
SMILESCC(N)C1(CN)CCCCC1
InChIInChI=1S/C9H20N2/c1-8(11)9(7-10)5-3-2-4-6-9/h8H,2-7,10-11H2,1H3
InChIKeyNXKKGHDTZIWPLB-UHFFFAOYSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]ethanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]ethanamine (CID 22174595) is 1-[1-(aminomethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]ethanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]ethanamine is CC(N)C1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]ethanamine?
The InChIKey is NXKKGHDTZIWPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(11)9(7-10)5-3-2-4-6-9/h8H,2-7,10-11H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]ethanamine?
1-[1-(aminomethyl)cyclohexyl]ethanamine has a molecular weight of 156.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 22174595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).