N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine

C13H24N4 — CID 103527388

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
SMILESCC(C)(NCc1cn(C(C)(C)C)nn1)C1CC1
InChIInChI=1S/C13H24N4/c1-12(2,3)17-9-11(15-16-17)8-14-13(4,5)10-6-7-10/h9-10,14H,6-8H2,1-5H3
InChIKeyNIKOHZFPBHXXOT-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.31
Rot. Bonds4

About N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine (PubChem CID 103527388) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
PubChem CID103527388
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
SMILESCC(C)(NCc1cn(C(C)(C)C)nn1)C1CC1
InChIInChI=1S/C13H24N4/c1-12(2,3)17-9-11(15-16-17)8-14-13(4,5)10-6-7-10/h9-10,14H,6-8H2,1-5H3
InChIKeyNIKOHZFPBHXXOT-UHFFFAOYSA-N
XLogP2.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol
CID 103399061
(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 124680879
1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103527182
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 103399147
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 103398563
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 103398952
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295384
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103527586
N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 103398984

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine (CID 103527388) is N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine is CC(C)(NCc1cn(C(C)(C)C)nn1)C1CC1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine?
The InChIKey is NIKOHZFPBHXXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(2,3)17-9-11(15-16-17)8-14-13(4,5)10-6-7-10/h9-10,14H,6-8H2,1-5H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine is sourced from PubChem (CID 103527388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).