N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

C15H28N4O — CID 114689357

IUPACN-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1C)C1(OC)CCCCCC1
InChIInChI=1S/C15H28N4O/c1-4-11-16-14(13-12-17-18-19(13)2)15(20-3)9-7-5-6-8-10-15/h12,14,16H,4-11H2,1-3H3
InChIKeyKWLODOBLKZTNJK-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.60
Rot. Bonds6

About N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114689357) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114689357
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1C)C1(OC)CCCCCC1
InChIInChI=1S/C15H28N4O/c1-4-11-16-14(13-12-17-18-19(13)2)15(20-3)9-7-5-6-8-10-15/h12,14,16H,4-11H2,1-3H3
InChIKeyKWLODOBLKZTNJK-UHFFFAOYSA-N
XLogP2.60
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689341
[(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105270277
(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
CID 114686842
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 106462943
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114689347
3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
CID 116763449
N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043879
(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol
CID 114686777
N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763409
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (CID 114689357) is N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnnn1C)C1(OC)CCCCCC1.
What is the InChIKey of N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is KWLODOBLKZTNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-11-16-14(13-12-17-18-19(13)2)15(20-3)9-7-5-6-8-10-15/h12,14,16H,4-11H2,1-3H3.
What are the key properties of N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114689357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).