2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine

C12H22N4 — CID 107053542

IUPAC2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCCNCC(C)(Cc1cn(C)nn1)C1CC1
InChIInChI=1S/C12H22N4/c1-4-13-9-12(2,10-5-6-10)7-11-8-16(3)15-14-11/h8,10,13H,4-7,9H2,1-3H3
InChIKeyBNVGCBWSKONZQF-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.38
Rot. Bonds6

About 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine

2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine (PubChem CID 107053542) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
PubChem CID107053542
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCCNCC(C)(Cc1cn(C)nn1)C1CC1
InChIInChI=1S/C12H22N4/c1-4-13-9-12(2,10-5-6-10)7-11-8-16(3)15-14-11/h8,10,13H,4-7,9H2,1-3H3
InChIKeyBNVGCBWSKONZQF-UHFFFAOYSA-N
XLogP1.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057883
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83160224
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
1-(cyclopropylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057678
2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine
CID 83160038
2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107061549
ethane;1-methyl-4-propyltriazole
CID 168923376
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83159454
2,3-dimethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylbutan-1-amine
CID 107053556
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 107043593
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107059032

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine (CID 107053542) is 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine is CCNCC(C)(Cc1cn(C)nn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine?
The InChIKey is BNVGCBWSKONZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-13-9-12(2,10-5-6-10)7-11-8-16(3)15-14-11/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine?
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 107053542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).