N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine

C16H29N3 — CID 103134773

IUPACN-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)C1(CC(C)C)CCCC1
InChIInChI=1S/C16H29N3/c1-5-17-15(14-8-11-19(4)18-14)16(12-13(2)3)9-6-7-10-16/h8,11,13,15,17H,5-7,9-10,12H2,1-4H3
InChIKeyGZOGFERNHXBOSQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.68
Rot. Bonds6

About N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine

N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 103134773) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID103134773
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)C1(CC(C)C)CCCC1
InChIInChI=1S/C16H29N3/c1-5-17-15(14-8-11-19(4)18-14)16(12-13(2)3)9-6-7-10-16/h8,11,13,15,17H,5-7,9-10,12H2,1-4H3
InChIKeyGZOGFERNHXBOSQ-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095
[(1-ethylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141044
N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 103134725
N-[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134493
N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine
CID 115799011
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029722
N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131211
1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103131417
[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140915
N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 105040484
N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131457
1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103131455

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine (CID 103134773) is N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccn(C)n1)C1(CC(C)C)CCCC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is GZOGFERNHXBOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-17-15(14-8-11-19(4)18-14)16(12-13(2)3)9-6-7-10-16/h8,11,13,15,17H,5-7,9-10,12H2,1-4H3.
What are the key properties of N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine?
N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 103134773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).