N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine

C14H28N4 — CID 71195154

IUPACN-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCC(CCN(C)CC(C)(C)C)c1nncn1C
InChIInChI=1S/C14H28N4/c1-7-12(13-16-15-11-18(13)6)8-9-17(5)10-14(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyBDHHTKHNWOHKSP-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.68
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine

N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 71195154) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID71195154
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCC(CCN(C)CC(C)(C)C)c1nncn1C
InChIInChI=1S/C14H28N4/c1-7-12(13-16-15-11-18(13)6)8-9-17(5)10-14(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyBDHHTKHNWOHKSP-UHFFFAOYSA-N
XLogP2.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine (CID 71195154) is N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine is CCC(CCN(C)CC(C)(C)C)c1nncn1C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is BDHHTKHNWOHKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-12(13-16-15-11-18(13)6)8-9-17(5)10-14(2,3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 71195154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).