N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine

C17H29NO — CID 81029610

IUPACN-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CCC)CC1c1ccoc1
InChIInChI=1S/C17H29NO/c1-3-5-14-6-7-15(12-18-9-4-2)17(11-14)16-8-10-19-13-16/h8,10,13-15,17-18H,3-7,9,11-12H2,1-2H3
InChIKeyVZUBDCZKTPXJFB-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.58
Rot. Bonds7

About N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine

N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine (PubChem CID 81029610) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine
PubChem CID81029610
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CCC)CC1c1ccoc1
InChIInChI=1S/C17H29NO/c1-3-5-14-6-7-15(12-18-9-4-2)17(11-14)16-8-10-19-13-16/h8,10,13-15,17-18H,3-7,9,11-12H2,1-2H3
InChIKeyVZUBDCZKTPXJFB-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.58
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

N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81029613
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine
CID 63208002
[2-(furan-3-yl)-4-propylcyclohexyl]methanamine
CID 81012027
N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023230
N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031757
1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine
CID 81030983
N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029161
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507
N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029457
N-[[2-(4-bromothiophen-3-yl)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 81028976
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81033727

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine (CID 81029610) is N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(CCC)CC1c1ccoc1.
What is the InChIKey of N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine?
The InChIKey is VZUBDCZKTPXJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-5-14-6-7-15(12-18-9-4-2)17(11-14)16-8-10-19-13-16/h8,10,13-15,17-18H,3-7,9,11-12H2,1-2H3.
What are the key properties of N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine?
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81029610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).