N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine

C14H29N5 — CID 55074649

IUPACN-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
SMILESCCCCCN(C)CCn1cc(CNCCC)nn1
InChIInChI=1S/C14H29N5/c1-4-6-7-9-18(3)10-11-19-13-14(16-17-19)12-15-8-5-2/h13,15H,4-12H2,1-3H3
InChIKeyCUJXOTGQZVPOKZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.90
Rot. Bonds11

About N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine

N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine (PubChem CID 55074649) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
PubChem CID55074649
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC NameN-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
SMILESCCCCCN(C)CCn1cc(CNCCC)nn1
InChIInChI=1S/C14H29N5/c1-4-6-7-9-18(3)10-11-19-13-14(16-17-19)12-15-8-5-2/h13,15H,4-12H2,1-3H3
InChIKeyCUJXOTGQZVPOKZ-UHFFFAOYSA-N
XLogP1.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylbutan-1-amine
CID 62423669
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 63705832
N-[[1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62428469
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine
CID 62463402
N,N-dimethyl-4-[4-(propylaminomethyl)triazol-1-yl]butanamide
CID 66193355
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
CID 66194117
N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
CID 66192486
N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62458984
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine?
The IUPAC name of N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine (CID 55074649) is N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine.
What is the SMILES notation for N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine?
The canonical SMILES for N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine is CCCCCN(C)CCn1cc(CNCCC)nn1.
What is the InChIKey of N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine?
The InChIKey is CUJXOTGQZVPOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-4-6-7-9-18(3)10-11-19-13-14(16-17-19)12-15-8-5-2/h13,15H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine?
N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 55074649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).