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

C12H24N4 — CID 156563571

IUPACN-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine
SMILESCCN(CCCn1cncn1)CC(C)(C)C
InChIInChI=1S/C12H24N4/c1-5-15(9-12(2,3)4)7-6-8-16-11-13-10-14-16/h10-11H,5-9H2,1-4H3
InChIKeyYRBXSRPGZIXVFO-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.04
Rot. Bonds6

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

N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine (PubChem CID 156563571) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine
PubChem CID156563571
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine
SMILESCCN(CCCn1cncn1)CC(C)(C)C
InChIInChI=1S/C12H24N4/c1-5-15(9-12(2,3)4)7-6-8-16-11-13-10-14-16/h10-11H,5-9H2,1-4H3
InChIKeyYRBXSRPGZIXVFO-UHFFFAOYSA-N
XLogP2.04
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine (CID 156563571) is N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine is CCN(CCCn1cncn1)CC(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine?
The InChIKey is YRBXSRPGZIXVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-15(9-12(2,3)4)7-6-8-16-11-13-10-14-16/h10-11H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine?
N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine is sourced from PubChem (CID 156563571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).