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

C13H23N3 — CID 83160224

IUPAC2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCCNCC(C)(Cc1ccn(C)n1)C1CC1
InChIInChI=1S/C13H23N3/c1-4-14-10-13(2,11-5-6-11)9-12-7-8-16(3)15-12/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyRFYSKVRVDQYDFO-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.99
Rot. Bonds6

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

2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 83160224) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
PubChem CID83160224
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCCNCC(C)(Cc1ccn(C)n1)C1CC1
InChIInChI=1S/C13H23N3/c1-4-14-10-13(2,11-5-6-11)9-12-7-8-16(3)15-12/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyRFYSKVRVDQYDFO-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83159454
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053542
3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 82870716
N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83150502
N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82870837
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine
CID 82870607
2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine
CID 83159330
N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105175019
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
CID 82869291
N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882063

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine (CID 83160224) is 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine is CCNCC(C)(Cc1ccn(C)n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is RFYSKVRVDQYDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-14-10-13(2,11-5-6-11)9-12-7-8-16(3)15-12/h7-8,11,14H,4-6,9-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 83160224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).