N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine

C18H33N3 — CID 103029722

IUPACN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H33N3/c1-5-19-17(9-8-16-13-20-21(4)14-16)18(12-15(2)3)10-6-7-11-18/h13-15,17,19H,5-12H2,1-4H3
InChIKeyCRFNPTGMNYPMNY-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.94
Rot. Bonds8

About N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine

N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103029722) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103029722
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H33N3/c1-5-19-17(9-8-16-13-20-21(4)14-16)18(12-15(2)3)10-6-7-11-18/h13-15,17,19H,5-12H2,1-4H3
InChIKeyCRFNPTGMNYPMNY-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine
CID 115793603
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103001679
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
[1-(1-methoxycyclopentyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027057
N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103134773
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892
N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808792
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027896
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115779478
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
CID 103012216
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103029722) is N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine is CCNC(CCc1cnn(C)c1)C1(CC(C)C)CCCC1.
What is the InChIKey of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is CRFNPTGMNYPMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-19-17(9-8-16-13-20-21(4)14-16)18(12-15(2)3)10-6-7-11-18/h13-15,17,19H,5-12H2,1-4H3.
What are the key properties of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103029722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).