N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine

C13H26N4 — CID 114222762

IUPACN-(6-methylheptan-2-yl)-3-propyltriazol-4-amine
SMILESCCCn1nncc1NC(C)CCCC(C)C
InChIInChI=1S/C13H26N4/c1-5-9-17-13(10-14-16-17)15-12(4)8-6-7-11(2)3/h10-12,15H,5-9H2,1-4H3
InChIKeyBCBVYFZPFUSGCH-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.31
Rot. Bonds8

About N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine

N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine (PubChem CID 114222762) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-3-propyltriazol-4-amine
PubChem CID114222762
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-(6-methylheptan-2-yl)-3-propyltriazol-4-amine
SMILESCCCn1nncc1NC(C)CCCC(C)C
InChIInChI=1S/C13H26N4/c1-5-9-17-13(10-14-16-17)15-12(4)8-6-7-11(2)3/h10-12,15H,5-9H2,1-4H3
InChIKeyBCBVYFZPFUSGCH-UHFFFAOYSA-N
XLogP3.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine
CID 115926056
1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114223486
5-butyl-1-(7-methyloctyl)triazole
CID 69281455
2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687773
ethane;5-methyl-1-propyltriazole
CID 164526823
5-hexyl-1-(6-methylheptyl)triazole
CID 126566666
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine
CID 114690351
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
6-methyl-N-(6-methylheptan-2-yl)pyridazin-3-amine
CID 61472487
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine?
The IUPAC name of N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine (CID 114222762) is N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine.
What is the SMILES notation for N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine?
The canonical SMILES for N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine is CCCn1nncc1NC(C)CCCC(C)C.
What is the InChIKey of N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine?
The InChIKey is BCBVYFZPFUSGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-9-17-13(10-14-16-17)15-12(4)8-6-7-11(2)3/h10-12,15H,5-9H2,1-4H3.
What are the key properties of N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine?
N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine has a molecular weight of 238.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine is sourced from PubChem (CID 114222762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).