N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine

C12H22N4 — CID 105043879

IUPACN-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1(C)CCCC1
InChIInChI=1S/C12H22N4/c1-4-13-11(10-9-14-15-16(10)3)12(2)7-5-6-8-12/h9,11,13H,4-8H2,1-3H3
InChIKeyDQGFGRDKIVXGSD-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.05
Rot. Bonds4

About N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine

N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 105043879) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID105043879
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1(C)CCCC1
InChIInChI=1S/C12H22N4/c1-4-13-11(10-9-14-15-16(10)3)12(2)7-5-6-8-12/h9,11,13H,4-8H2,1-3H3
InChIKeyDQGFGRDKIVXGSD-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858855
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830779
N-[(4,4-dimethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688067
N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114689332
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830099
N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 114688405
N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114688709
N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 107191060
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
N-methyl-1-(3-methyltriazol-4-yl)-1-(1-piperidin-1-ylcyclopentyl)methanamine
CID 114688398

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine (CID 105043879) is N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1cnnn1C)C1(C)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is DQGFGRDKIVXGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-13-11(10-9-14-15-16(10)3)12(2)7-5-6-8-12/h9,11,13H,4-8H2,1-3H3.
What are the key properties of N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105043879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).