N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine

C16H29N3 — CID 115816322

IUPACN-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CC)c1)C1(CC)CCCC1
InChIInChI=1S/C16H29N3/c1-4-11-17-15(14-12-18-19(6-3)13-14)16(5-2)9-7-8-10-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyQNJRYLMEPJFPNS-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.91
Rot. Bonds7

About N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine

N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 115816322) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID115816322
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CC)c1)C1(CC)CCCC1
InChIInChI=1S/C16H29N3/c1-4-11-17-15(14-12-18-19(6-3)13-14)16(5-2)9-7-8-10-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyQNJRYLMEPJFPNS-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylcyclopentyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 115816143
1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79061750
N-[(1-ethoxycyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 116762353
N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822846
N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808792
[(1-ethylcyclopentyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288552
[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288735
N-[(1-ethylcyclopentyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026181
1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116724937
N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105104750
[(1-ethoxycycloheptyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105278414
N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine
CID 63079873

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine (CID 115816322) is N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(CC)c1)C1(CC)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is QNJRYLMEPJFPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-11-17-15(14-12-18-19(6-3)13-14)16(5-2)9-7-8-10-16/h12-13,15,17H,4-11H2,1-3H3.
What are the key properties of N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115816322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).