N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine

C12H22N4 — CID 103753099

IUPACN-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1CNCC1(C)CCCCC1
InChIInChI=1S/C12H22N4/c1-12(6-4-3-5-7-12)10-13-8-11-9-14-15-16(11)2/h9,13H,3-8,10H2,1-2H3
InChIKeyLRJQGYASHGWPKU-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.88
Rot. Bonds4

About N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine

N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine (PubChem CID 103753099) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine
PubChem CID103753099
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1CNCC1(C)CCCCC1
InChIInChI=1S/C12H22N4/c1-12(6-4-3-5-7-12)10-13-8-11-9-14-15-16(11)2/h9,13H,3-8,10H2,1-2H3
InChIKeyLRJQGYASHGWPKU-UHFFFAOYSA-N
XLogP1.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 124680879
N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine
CID 126815328
1-(3-ethyltriazol-4-yl)-N-[[(1S)-1,2,2-trimethylcyclopropyl]methyl]methanamine
CID 164639495
trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 164642380
N-[(1-methyltriazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 55113700
N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62755245
N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 62755610
N-[(3-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 113252271
N-[(3-methyltriazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 113252272
1-[1-[(3,3-difluorocyclohexyl)methyl]triazol-4-yl]-N-methylmethanamine
CID 114225070
N-[[1-[(3,3-difluorocyclohexyl)methyl]triazol-4-yl]methyl]ethanamine
CID 114225071
N-[(3-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 115682280

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine (CID 103753099) is N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine is Cn1nncc1CNCC1(C)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine?
The InChIKey is LRJQGYASHGWPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(6-4-3-5-7-12)10-13-8-11-9-14-15-16(11)2/h9,13H,3-8,10H2,1-2H3.
What are the key properties of N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine?
N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 103753099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).