N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine

C19H33NO — CID 83178610

IUPACN-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCCC1CCC(CNCCC)(Cc2ccoc2)CC1
InChIInChI=1S/C19H33NO/c1-3-5-6-17-7-10-19(11-8-17,16-20-12-4-2)14-18-9-13-21-15-18/h9,13,15,17,20H,3-8,10-12,14,16H2,1-2H3
InChIKeyANOQPCDNWFKHBE-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.19
Rot. Bonds9

About N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine

N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 83178610) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID83178610
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCCC1CCC(CNCCC)(Cc2ccoc2)CC1
InChIInChI=1S/C19H33NO/c1-3-5-6-17-7-10-19(11-8-17,16-20-12-4-2)14-18-9-13-21-15-18/h9,13,15,17,20H,3-8,10-12,14,16H2,1-2H3
InChIKeyANOQPCDNWFKHBE-UHFFFAOYSA-N
XLogP5.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.19
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine (CID 83178610) is N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine is CCCCC1CCC(CNCCC)(Cc2ccoc2)CC1.
What is the InChIKey of N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is ANOQPCDNWFKHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-5-6-17-7-10-19(11-8-17,16-20-12-4-2)14-18-9-13-21-15-18/h9,13,15,17,20H,3-8,10-12,14,16H2,1-2H3.
What are the key properties of N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 83178610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).