1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine

C14H26N4 — CID 113412467

IUPAC1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine
SMILESCCN1CCCC(NCCCn2cccn2)CC1
InChIInChI=1S/C14H26N4/c1-2-17-10-3-6-14(7-13-17)15-8-4-11-18-12-5-9-16-18/h5,9,12,14-15H,2-4,6-8,10-11,13H2,1H3
InChIKeyRFNONDLMYPLWJU-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.74
Rot. Bonds6

About 1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine

1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine (PubChem CID 113412467) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine
PubChem CID113412467
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine
SMILESCCN1CCCC(NCCCn2cccn2)CC1
InChIInChI=1S/C14H26N4/c1-2-17-10-3-6-14(7-13-17)15-8-4-11-18-12-5-9-16-18/h5,9,12,14-15H,2-4,6-8,10-11,13H2,1H3
InChIKeyRFNONDLMYPLWJU-UHFFFAOYSA-N
XLogP1.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
CID 112698622
3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115708654
(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine
CID 28954232
1-ethyl-N-(3-methylsulfonylpropyl)azepan-4-amine
CID 65073233
1-ethyl-N-pent-4-ynylazepan-4-amine
CID 106220583
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
cis-(1R,3S)-3-(3-pyrazol-1-ylpropylamino)cyclohexane-1-carbonitrile
CID 99777730
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine
CID 107907905
N-(2-butoxyethyl)-1-ethylazepan-4-amine
CID 65073819
2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 115761179

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine (CID 113412467) is 1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine is CCN1CCCC(NCCCn2cccn2)CC1.
What is the InChIKey of 1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine?
The InChIKey is RFNONDLMYPLWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-2-17-10-3-6-14(7-13-17)15-8-4-11-18-12-5-9-16-18/h5,9,12,14-15H,2-4,6-8,10-11,13H2,1H3.
What are the key properties of 1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine?
1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine has a molecular weight of 250.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine is sourced from PubChem (CID 113412467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).