4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine

C19H31NO — CID 114333026

IUPAC4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(OCCCCc2ccccc2)CC1
InChIInChI=1S/C19H31NO/c1-2-15-20-18-11-13-19(14-12-18)21-16-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,18-20H,2,6-7,10-16H2,1H3
InChIKeyZTDHOGFCRFSVHD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.34
Rot. Bonds9

About 4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine

4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine (PubChem CID 114333026) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine
PubChem CID114333026
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(OCCCCc2ccccc2)CC1
InChIInChI=1S/C19H31NO/c1-2-15-20-18-11-13-19(14-12-18)21-16-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,18-20H,2,6-7,10-16H2,1H3
InChIKeyZTDHOGFCRFSVHD-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpentoxy)-N-propylcyclohexan-1-amine
CID 113414086
6-ethoxyhexylbenzene
CID 54300935
10-butoxydecylbenzene
CID 151496754
14-propoxytetradecylbenzene
CID 126562833
4-octadecoxybutylbenzene
CID 70977182
6-propoxyhexylbenzene
CID 54255597
5-pentoxypentylbenzene
CID 19046566
4-heptoxybutylbenzene;methane
CID 158099440
carbanide;4-heptoxybutylbenzene
CID 158344773
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile
CID 106708901
2-cyclobutyloxyethylbenzene
CID 54003575

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine (CID 114333026) is 4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine is CCCNC1CCC(OCCCCc2ccccc2)CC1.
What is the InChIKey of 4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine?
The InChIKey is ZTDHOGFCRFSVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-15-20-18-11-13-19(14-12-18)21-16-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,18-20H,2,6-7,10-16H2,1H3.
What are the key properties of 4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine?
4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 114333026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).