N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine

C14H28N4 — CID 114690387

IUPACN-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine
SMILESCCCNC(CCC)CCc1cnnn1CCC
InChIInChI=1S/C14H28N4/c1-4-7-13(15-10-5-2)8-9-14-12-16-17-18(14)11-6-3/h12-13,15H,4-11H2,1-3H3
InChIKeyNMARJNAMFSBXSC-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.79
Rot. Bonds10

About N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine

N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine (PubChem CID 114690387) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine.

Molecular Properties

Compound NameN-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine
PubChem CID114690387
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine
SMILESCCCNC(CCC)CCc1cnnn1CCC
InChIInChI=1S/C14H28N4/c1-4-7-13(15-10-5-2)8-9-14-12-16-17-18(14)11-6-3/h12-13,15H,4-11H2,1-3H3
InChIKeyNMARJNAMFSBXSC-UHFFFAOYSA-N
XLogP2.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine
CID 114690385
N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine
CID 114690382
1-(3-propyltriazol-4-yl)pentan-3-amine
CID 114690321
4-(3-propyltriazol-4-yl)butan-2-amine
CID 114690307
3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690518
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine
CID 114690351
1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690545
N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
CID 114690126
1,5-bis(3-methylbutyl)triazole
CID 122630242
2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687773
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine?
The IUPAC name of N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine (CID 114690387) is N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine.
What is the SMILES notation for N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine?
The canonical SMILES for N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine is CCCNC(CCC)CCc1cnnn1CCC.
What is the InChIKey of N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine?
The InChIKey is NMARJNAMFSBXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-7-13(15-10-5-2)8-9-14-12-16-17-18(14)11-6-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine?
N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine has a molecular weight of 252.41 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine is sourced from PubChem (CID 114690387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).