N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine

C17H34N4 — CID 105003076

IUPACN-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
SMILESCCCCCCCC(Cc1ncnn1CCC)NCCC
InChIInChI=1S/C17H34N4/c1-4-7-8-9-10-11-16(18-12-5-2)14-17-19-15-20-21(17)13-6-3/h15-16,18H,4-14H2,1-3H3
InChIKeyUVOMMYFSHGBWEL-UHFFFAOYSA-N
MW294.49 g/mol
LogP3.96
Rot. Bonds13

About N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine

N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine (PubChem CID 105003076) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
PubChem CID105003076
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC NameN-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
SMILESCCCCCCCC(Cc1ncnn1CCC)NCCC
InChIInChI=1S/C17H34N4/c1-4-7-8-9-10-11-16(18-12-5-2)14-17-19-15-20-21(17)13-6-3/h15-16,18H,4-14H2,1-3H3
InChIKeyUVOMMYFSHGBWEL-UHFFFAOYSA-N
XLogP3.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 53.96
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

5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79964580
4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 103149944
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 79411663
1-(2-propyl-1,2,4-triazol-3-yl)undecan-2-ol
CID 115816507
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylheptan-2-amine
CID 105002201
4-ethoxy-N-ethyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162685
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
N-ethyl-5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79954945
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79616250
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propoxy-N-propylbutan-2-amine
CID 105160794
3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79053430

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine?
The IUPAC name of N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine (CID 105003076) is N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine.
What is the SMILES notation for N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine?
The canonical SMILES for N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine is CCCCCCCC(Cc1ncnn1CCC)NCCC.
What is the InChIKey of N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine?
The InChIKey is UVOMMYFSHGBWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-4-7-8-9-10-11-16(18-12-5-2)14-17-19-15-20-21(17)13-6-3/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine?
N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine has a molecular weight of 294.49 g/mol, XLogP of 3.96, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine is sourced from PubChem (CID 105003076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).