1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine

C16H27NO — CID 114193094

IUPAC1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine
SMILESCNC(CCc1ccco1)CCC1CCCCC1
InChIInChI=1S/C16H27NO/c1-17-15(11-12-16-8-5-13-18-16)10-9-14-6-3-2-4-7-14/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3
InChIKeyPWUKQHGBYNAAJN-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.16
Rot. Bonds7

About 1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine

1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine (PubChem CID 114193094) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine
PubChem CID114193094
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine
SMILESCNC(CCc1ccco1)CCC1CCCCC1
InChIInChI=1S/C16H27NO/c1-17-15(11-12-16-8-5-13-18-16)10-9-14-6-3-2-4-7-14/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3
InChIKeyPWUKQHGBYNAAJN-UHFFFAOYSA-N
XLogP4.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

1-cyclopropyl-5-(furan-2-yl)-N-propylpentan-3-amine
CID 105157945
[1-cyclopentyl-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105299009
1-cyclopentyl-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105138868
4-cyclohexyl-1-(furan-2-yl)butan-2-ol
CID 115830128
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338
1-(furan-2-yl)-N-methyloct-6-yn-3-amine
CID 105181452
1-cycloheptyl-2-(furan-2-yl)-N-methylethanamine
CID 83175244
1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine
CID 105113102
1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61064838
1-(furan-2-yl)hexan-3-ylhydrazine
CID 105282196
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine?
The IUPAC name of 1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine (CID 114193094) is 1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine.
What is the SMILES notation for 1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine?
The canonical SMILES for 1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine is CNC(CCc1ccco1)CCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine?
The InChIKey is PWUKQHGBYNAAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-17-15(11-12-16-8-5-13-18-16)10-9-14-6-3-2-4-7-14/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3.
What are the key properties of 1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine?
1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine is sourced from PubChem (CID 114193094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).