2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine

C13H26N4 — CID 156564043

IUPAC2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine
SMILESCC(C)N(CCCn1cncn1)CC(C)(C)C
InChIInChI=1S/C13H26N4/c1-12(2)16(9-13(3,4)5)7-6-8-17-11-14-10-15-17/h10-12H,6-9H2,1-5H3
InChIKeyPYXFWYNSISMSHX-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.42
Rot. Bonds6

About 2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine

2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine (PubChem CID 156564043) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine
PubChem CID156564043
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine
SMILESCC(C)N(CCCn1cncn1)CC(C)(C)C
InChIInChI=1S/C13H26N4/c1-12(2)16(9-13(3,4)5)7-6-8-17-11-14-10-15-17/h10-12H,6-9H2,1-5H3
InChIKeyPYXFWYNSISMSHX-UHFFFAOYSA-N
XLogP2.42
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine (CID 156564043) is 2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine is CC(C)N(CCCn1cncn1)CC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine?
The InChIKey is PYXFWYNSISMSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-12(2)16(9-13(3,4)5)7-6-8-17-11-14-10-15-17/h10-12H,6-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine?
2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine is sourced from PubChem (CID 156564043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).