N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine

C15H30N4 — CID 104997840

IUPACN-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine
SMILESCCNC(Cc1ncnn1C)CC(C)CC(C)(C)C
InChIInChI=1S/C15H30N4/c1-7-16-13(8-12(2)10-15(3,4)5)9-14-17-11-18-19(14)6/h11-13,16H,7-10H2,1-6H3
InChIKeyULPZFZMHLIPCHP-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds7

About N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine

N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine (PubChem CID 104997840) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine
PubChem CID104997840
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine
SMILESCCNC(Cc1ncnn1C)CC(C)CC(C)(C)C
InChIInChI=1S/C15H30N4/c1-7-16-13(8-12(2)10-15(3,4)5)9-14-17-11-18-19(14)6/h11-13,16H,7-10H2,1-6H3
InChIKeyULPZFZMHLIPCHP-UHFFFAOYSA-N
XLogP2.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine?
The IUPAC name of N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine (CID 104997840) is N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine.
What is the SMILES notation for N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine?
The canonical SMILES for N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine is CCNC(Cc1ncnn1C)CC(C)CC(C)(C)C.
What is the InChIKey of N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine?
The InChIKey is ULPZFZMHLIPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-7-16-13(8-12(2)10-15(3,4)5)9-14-17-11-18-19(14)6/h11-13,16H,7-10H2,1-6H3.
What are the key properties of N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine?
N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6,6-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)heptan-2-amine is sourced from PubChem (CID 104997840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).