2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine

C15H27N3 — CID 83159454

IUPAC2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCC(C)CNCC(C)(Cc1ccn(C)n1)C1CC1
InChIInChI=1S/C15H27N3/c1-12(2)10-16-11-15(3,13-5-6-13)9-14-7-8-18(4)17-14/h7-8,12-13,16H,5-6,9-11H2,1-4H3
InChIKeyGTSLXELBSQXYPK-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.62
Rot. Bonds7

About 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine

2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 83159454) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
PubChem CID83159454
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCC(C)CNCC(C)(Cc1ccn(C)n1)C1CC1
InChIInChI=1S/C15H27N3/c1-12(2)10-16-11-15(3,13-5-6-13)9-14-7-8-18(4)17-14/h7-8,12-13,16H,5-6,9-11H2,1-4H3
InChIKeyGTSLXELBSQXYPK-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83160224
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 83160355
3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159897
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999
N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 83159652
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81026786
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053542
2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine
CID 82872012
N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83150502
2-methyl-N-(2-methylpropyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64777525
N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 82870027

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine (CID 83159454) is 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine is CC(C)CNCC(C)(Cc1ccn(C)n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is GTSLXELBSQXYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)10-16-11-15(3,13-5-6-13)9-14-7-8-18(4)17-14/h7-8,12-13,16H,5-6,9-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 83159454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).