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

C9H18N4 — CID 115682072

IUPACN-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1cnnn1C
InChIInChI=1S/C9H18N4/c1-3-4-5-6-10-7-9-8-11-12-13(9)2/h8,10H,3-7H2,1-2H3
InChIKeyKPMHAPXVWFNTDZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.09
Rot. Bonds6

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

N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine (PubChem CID 115682072) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
PubChem CID115682072
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1cnnn1C
InChIInChI=1S/C9H18N4/c1-3-4-5-6-10-7-9-8-11-12-13(9)2/h8,10H,3-7H2,1-2H3
InChIKeyKPMHAPXVWFNTDZ-UHFFFAOYSA-N
XLogP1.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyltriazol-4-yl)methyl]decan-1-amine
CID 115690037
4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682364
N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine
CID 103739398
N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115682264
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol
CID 115703082
N-[(3-methyltriazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
CID 115682458
methyl 3-[(3-methyltriazol-4-yl)methylamino]propanoate
CID 115978304
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115689890
N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087
N-[(3-methyltriazol-4-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115682744
N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 115682543

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine (CID 115682072) is N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine is CCCCCNCc1cnnn1C.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine?
The InChIKey is KPMHAPXVWFNTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-4-5-6-10-7-9-8-11-12-13(9)2/h8,10H,3-7H2,1-2H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine?
N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 115682072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).