N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine

C16H27NO — CID 106830512

IUPACN-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)C1(C)CCCCC1
InChIInChI=1S/C16H27NO/c1-3-10-17-15(12-14-7-11-18-13-14)16(2)8-5-4-6-9-16/h7,11,13,15,17H,3-6,8-10,12H2,1-2H3
InChIKeyDBOCCEIIIHBUDF-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.16
Rot. Bonds6

About N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine

N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine (PubChem CID 106830512) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
PubChem CID106830512
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)C1(C)CCCCC1
InChIInChI=1S/C16H27NO/c1-3-10-17-15(12-14-7-11-18-13-14)16(2)8-5-4-6-9-16/h7,11,13,15,17H,3-6,8-10,12H2,1-2H3
InChIKeyDBOCCEIIIHBUDF-UHFFFAOYSA-N
XLogP4.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-1-[2-(furan-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 83178392
N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714803
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106827637
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115830526
N-[1-[1-(furan-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106798082
N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 107892244
[2-(furan-3-yl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105331813
N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 107311930
N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 80685111
N-[2-(4-ethylphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80685283
N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684788
1,1,1-trifluoro-3-(furan-3-yl)-N-propylpropan-2-amine
CID 105030039

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine (CID 106830512) is N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)C1(C)CCCCC1.
What is the InChIKey of N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is DBOCCEIIIHBUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-10-17-15(12-14-7-11-18-13-14)16(2)8-5-4-6-9-16/h7,11,13,15,17H,3-6,8-10,12H2,1-2H3.
What are the key properties of N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.16, 6 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)-1-(1-methylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 106830512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).