2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine

C16H22N4 — CID 79353260

IUPAC2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
SMILESCC1(C)C(NCc2cnn(-c3ccccc3)n2)C1(C)C
InChIInChI=1S/C16H22N4/c1-15(2)14(16(15,3)4)17-10-12-11-18-20(19-12)13-8-6-5-7-9-13/h5-9,11,14,17H,10H2,1-4H3
InChIKeyCAKXLXJQKBVEHF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.79
Rot. Bonds4

About 2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine

2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine (PubChem CID 79353260) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
PubChem CID79353260
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
SMILESCC1(C)C(NCc2cnn(-c3ccccc3)n2)C1(C)C
InChIInChI=1S/C16H22N4/c1-15(2)14(16(15,3)4)17-10-12-11-18-20(19-12)13-8-6-5-7-9-13/h5-9,11,14,17H,10H2,1-4H3
InChIKeyCAKXLXJQKBVEHF-UHFFFAOYSA-N
XLogP2.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
(5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione
CID 52526860
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-1-amine
CID 115600357
N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 113410140
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-2-amine
CID 115623247
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine
CID 103838747
3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one
CID 62094299
2-(hydroxymethyl)-2-[(2-phenyltriazol-4-yl)methylamino]propane-1,3-diol
CID 107850523
2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine
CID 28774650
2-[(2-phenyltriazol-4-yl)methylamino]propanoic acid
CID 54959625
3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 115639415
4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine
CID 54913963

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine (CID 79353260) is 2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine is CC1(C)C(NCc2cnn(-c3ccccc3)n2)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is CAKXLXJQKBVEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-15(2)14(16(15,3)4)17-10-12-11-18-20(19-12)13-8-6-5-7-9-13/h5-9,11,14,17H,10H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 79353260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).