4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine

C14H22N2O — CID 62807608

IUPAC4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine
SMILESNC1CCC(OCCCc2ccncc2)CC1
InChIInChI=1S/C14H22N2O/c15-13-3-5-14(6-4-13)17-11-1-2-12-7-9-16-10-8-12/h7-10,13-14H,1-6,11,15H2
InChIKeyPNIFNDANINLDPN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.30
Rot. Bonds5

About 4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine

4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine (PubChem CID 62807608) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine
PubChem CID62807608
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine
SMILESNC1CCC(OCCCc2ccncc2)CC1
InChIInChI=1S/C14H22N2O/c15-13-3-5-14(6-4-13)17-11-1-2-12-7-9-16-10-8-12/h7-10,13-14H,1-6,11,15H2
InChIKeyPNIFNDANINLDPN-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
CID 63871143
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
3-pyridin-4-ylpropyl cyclopentanecarboxylate
CID 78842260
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
CID 63869983
4-(2-pyrrolidin-3-yloxyethyl)pyridine
CID 62328437
1-(3-cyclohexyloxypropyl)-4-methylbenzene
CID 59931440
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-(2-cyclopropylethyl)pyridine
CID 54011262
2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine
CID 82687811
4-(2-aminoethoxy)cyclohexan-1-amine
CID 64981454
3-(3-phenylpropoxy)cyclopentan-1-ol
CID 79632249

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine?
The IUPAC name of 4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine (CID 62807608) is 4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine is NC1CCC(OCCCc2ccncc2)CC1.
What is the InChIKey of 4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine?
The InChIKey is PNIFNDANINLDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-13-3-5-14(6-4-13)17-11-1-2-12-7-9-16-10-8-12/h7-10,13-14H,1-6,11,15H2.
What are the key properties of 4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine?
4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine is sourced from PubChem (CID 62807608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).