1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

C14H26N4O — CID 114689347

IUPAC1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cnnn1C)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C14H26N4O/c1-13(2)6-8-14(19-5,9-7-13)12(15-3)11-10-16-17-18(11)4/h10,12,15H,6-9H2,1-5H3
InChIKeyTUQQSTMBKJSKPI-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.06
Rot. Bonds4

About 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (PubChem CID 114689347) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
PubChem CID114689347
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cnnn1C)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C14H26N4O/c1-13(2)6-8-14(19-5,9-7-13)12(15-3)11-10-16-17-18(11)4/h10,12,15H,6-9H2,1-5H3
InChIKeyTUQQSTMBKJSKPI-UHFFFAOYSA-N
XLogP2.06
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105270277
1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 114662031
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 114688405
(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol
CID 114686777
(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
CID 114686842
N-methyl-1-(3-methyltriazol-4-yl)-1-(1-piperidin-1-ylcyclopentyl)methanamine
CID 114688398
3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine
CID 116769486
1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 116769457
N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043879
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114689332

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (CID 114689347) is 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is CNC(c1cnnn1C)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The InChIKey is TUQQSTMBKJSKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13(2)6-8-14(19-5,9-7-13)12(15-3)11-10-16-17-18(11)4/h10,12,15H,6-9H2,1-5H3.
What are the key properties of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine has a molecular weight of 266.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114689347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).