[1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine

C16H36N4 — CID 69118044

IUPAC[1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine
SMILESNCC1(CN)CCCCC1.NCC1CCCC(CN)C1
InChIInChI=1S/2C8H18N2/c9-5-7-2-1-3-8(4-7)6-10;9-6-8(7-10)4-2-1-3-5-8/h7-8H,1-6,9-10H2;1-7,9-10H2
InChIKeyCXEZDJXQNRRTKL-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.56
Rot. Bonds4

About [1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine

[1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine (PubChem CID 69118044) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine
PubChem CID69118044
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name[1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine
SMILESNCC1(CN)CCCCC1.NCC1CCCC(CN)C1
InChIInChI=1S/2C8H18N2/c9-5-7-2-1-3-8(4-7)6-10;9-6-8(7-10)4-2-1-3-5-8/h7-8H,1-6,9-10H2;1-7,9-10H2
InChIKeyCXEZDJXQNRRTKL-UHFFFAOYSA-N
XLogP1.56
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine (CID 69118044) is [1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine is NCC1(CN)CCCCC1.NCC1CCCC(CN)C1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine?
The InChIKey is CXEZDJXQNRRTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18N2/c9-5-7-2-1-3-8(4-7)6-10;9-6-8(7-10)4-2-1-3-5-8/h7-8H,1-6,9-10H2;1-7,9-10H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine?
[1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine has a molecular weight of 284.49 g/mol, XLogP of 1.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine is sourced from PubChem (CID 69118044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).