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

C14H28N4 — CID 79411663

IUPACN-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
SMILESCCCCC(Cc1ncnn1CCC)NC(C)C
InChIInChI=1S/C14H28N4/c1-5-7-8-13(17-12(3)4)10-14-15-11-16-18(14)9-6-2/h11-13,17H,5-10H2,1-4H3
InChIKeyHYNRZAQLFXCEQL-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.79
Rot. Bonds9

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

N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine (PubChem CID 79411663) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
PubChem CID79411663
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
SMILESCCCCC(Cc1ncnn1CCC)NC(C)C
InChIInChI=1S/C14H28N4/c1-5-7-8-13(17-12(3)4)10-14-15-11-16-18(14)9-6-2/h11-13,17H,5-10H2,1-4H3
InChIKeyHYNRZAQLFXCEQL-UHFFFAOYSA-N
XLogP2.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine
CID 79413166
N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
CID 105003076
1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-ylhydrazine
CID 105245744
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 112744550
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylheptan-2-amine
CID 105002201
1-(2-propyl-1,2,4-triazol-3-yl)undecan-2-ol
CID 115816507
4-ethoxy-N-ethyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162685
[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105206476
[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105319094
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
N-ethyl-5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79954945

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine?
The IUPAC name of N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine (CID 79411663) is N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine.
What is the SMILES notation for N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine?
The canonical SMILES for N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine is CCCCC(Cc1ncnn1CCC)NC(C)C.
What is the InChIKey of N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine?
The InChIKey is HYNRZAQLFXCEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-7-8-13(17-12(3)4)10-14-15-11-16-18(14)9-6-2/h11-13,17H,5-10H2,1-4H3.
What are the key properties of N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine?
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine is sourced from PubChem (CID 79411663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).