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

C12H24N4 — CID 103461398

IUPAC2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCCCn1ncnc1CNCC(C)(C)CC
InChIInChI=1S/C12H24N4/c1-5-7-16-11(14-10-15-16)8-13-9-12(3,4)6-2/h10,13H,5-9H2,1-4H3
InChIKeyVXYPAYGUVHSUKQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.21
Rot. Bonds7

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

2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine (PubChem CID 103461398) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
PubChem CID103461398
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCCCn1ncnc1CNCC(C)(C)CC
InChIInChI=1S/C12H24N4/c1-5-7-16-11(14-10-15-16)8-13-9-12(3,4)6-2/h10,13H,5-9H2,1-4H3
InChIKeyVXYPAYGUVHSUKQ-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115406742
4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106841860
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-propyl-1,2,4-triazol-3-yl)methanamine
CID 115455578
2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 102698035
6-bromo-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
CID 107844546
2,2-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propan-1-ol
CID 115359975
2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
CID 114941761
N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 107302391
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83159712
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
N,N-diethyl-2-hydrazinyl-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-3-amine
CID 105240944

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine (CID 103461398) is 2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine is CCCn1ncnc1CNCC(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The InChIKey is VXYPAYGUVHSUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-7-16-11(14-10-15-16)8-13-9-12(3,4)6-2/h10,13H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 103461398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).