N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine

C11H24N2 — CID 79526773

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine
SMILESCCN(C)CC1CCC(CN)CC1
InChIInChI=1S/C11H24N2/c1-3-13(2)9-11-6-4-10(8-12)5-7-11/h10-11H,3-9,12H2,1-2H3
InChIKeyLQTGXDNIUIIUHL-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.70
Rot. Bonds4

About N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine (PubChem CID 79526773) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine
PubChem CID79526773
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine
SMILESCCN(C)CC1CCC(CN)CC1
InChIInChI=1S/C11H24N2/c1-3-13(2)9-11-6-4-10(8-12)5-7-11/h10-11H,3-9,12H2,1-2H3
InChIKeyLQTGXDNIUIIUHL-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 79533480
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
N'-(cyclopropylmethyl)-N'-methylhexane-1,6-diamine
CID 60985774
N-[[3-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 83619172
[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 79527589
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 79527070
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 79527297
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine
CID 156795126

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine (CID 79526773) is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine is CCN(C)CC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine?
The InChIKey is LQTGXDNIUIIUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-13(2)9-11-6-4-10(8-12)5-7-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine has a molecular weight of 184.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine is sourced from PubChem (CID 79526773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).