N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

C13H24N4 — CID 114688709

IUPACN-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1(C)CC1
InChIInChI=1S/C13H24N4/c1-4-8-14-12(13(3)6-7-13)11-10-15-16-17(11)9-5-2/h10,12,14H,4-9H2,1-3H3
InChIKeyQWXZVPJQUOMJQE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.53
Rot. Bonds7

About N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114688709) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114688709
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1(C)CC1
InChIInChI=1S/C13H24N4/c1-4-8-14-12(13(3)6-7-13)11-10-15-16-17(11)9-5-2/h10,12,14H,4-9H2,1-3H3
InChIKeyQWXZVPJQUOMJQE-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043879
N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114689312
N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 105038466
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688647
2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038563
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 107190904
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (CID 114688709) is N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnnn1CCC)C1(C)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is QWXZVPJQUOMJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-8-14-12(13(3)6-7-13)11-10-15-16-17(11)9-5-2/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114688709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).