N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine

C14H28N4 — CID 139407995

IUPACN,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine
SMILESCCCC(C)c1nncn1CC(C)(C)CN(C)C
InChIInChI=1S/C14H28N4/c1-7-8-12(2)13-16-15-11-18(13)10-14(3,4)9-17(5)6/h11-12H,7-10H2,1-6H3
InChIKeyRGGKHNDLPXXDFD-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.77
Rot. Bonds7

About N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine

N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine (PubChem CID 139407995) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine
PubChem CID139407995
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine
SMILESCCCC(C)c1nncn1CC(C)(C)CN(C)C
InChIInChI=1S/C14H28N4/c1-7-8-12(2)13-16-15-11-18(13)10-14(3,4)9-17(5)6/h11-12H,7-10H2,1-6H3
InChIKeyRGGKHNDLPXXDFD-UHFFFAOYSA-N
XLogP2.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine?
The IUPAC name of N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine (CID 139407995) is N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine?
The canonical SMILES for N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine is CCCC(C)c1nncn1CC(C)(C)CN(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine?
The InChIKey is RGGKHNDLPXXDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-8-12(2)13-16-15-11-18(13)10-14(3,4)9-17(5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine?
N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-3-(3-pentan-2-yl-1,2,4-triazol-4-yl)propan-1-amine is sourced from PubChem (CID 139407995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).