[4-(aminomethyl)cyclohexyl]methanamine

C16H36N4 — CID 158172497

IUPAC[4-(aminomethyl)cyclohexyl]methanamine
SMILESNCC1CCC(CN)CC1.NCC1CCC(CN)CC1
InChIInChI=1S/2C8H18N2/c2*9-5-7-1-2-8(6-10)4-3-7/h2*7-8H,1-6,9-10H2
InChIKeyFXPVLLWYUHIDLH-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.42
Rot. Bonds4

About [4-(aminomethyl)cyclohexyl]methanamine

[4-(aminomethyl)cyclohexyl]methanamine (PubChem CID 158172497) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]methanamine
PubChem CID158172497
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name[4-(aminomethyl)cyclohexyl]methanamine
SMILESNCC1CCC(CN)CC1.NCC1CCC(CN)CC1
InChIInChI=1S/2C8H18N2/c2*9-5-7-1-2-8(6-10)4-3-7/h2*7-8H,1-6,9-10H2
InChIKeyFXPVLLWYUHIDLH-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 54348885
cyclohexylmethanamine;hydrochloride
CID 3039618
cyclohexylmethanamine;hydrobromide
CID 13001131
[4-(oxan-4-yl)cyclohexyl]methanamine
CID 130758387
(4-tert-butylcyclohexyl)methanamine;hydrochloride
CID 12568254
(4-methoxycyclohexyl)methanamine;hydrochloride
CID 66699723
cyclopropanecarboxamide;cyclopropylmethanamine
CID 175374528
4-(aminomethyl)cyclohexane-1-carbonitrile;ethane
CID 171503832
cyclohexylmethanamine;methanol
CID 70430105
cyclohexanamine;cyclohexylmethanamine
CID 174974863
3-bicyclo[4.2.0]octanylmethanamine
CID 131991304
[4-(1-fluoroethyl)cyclohexyl]methanamine
CID 84764155

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]methanamine?
The IUPAC name of [4-(aminomethyl)cyclohexyl]methanamine (CID 158172497) is [4-(aminomethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]methanamine is NCC1CCC(CN)CC1.NCC1CCC(CN)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]methanamine?
The InChIKey is FXPVLLWYUHIDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18N2/c2*9-5-7-1-2-8(6-10)4-3-7/h2*7-8H,1-6,9-10H2.
What are the key properties of [4-(aminomethyl)cyclohexyl]methanamine?
[4-(aminomethyl)cyclohexyl]methanamine has a molecular weight of 284.49 g/mol, XLogP of 1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]methanamine is sourced from PubChem (CID 158172497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).