N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine

C16H27NO — CID 107448054

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CCCC(C(C)C)C2)o1
InChIInChI=1S/C16H27NO/c1-11(2)14-6-5-7-15(10-14)17-13(4)16-9-8-12(3)18-16/h8-9,11,13-15,17H,5-7,10H2,1-4H3
InChIKeyANIAISXLHDWGBA-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.45
Rot. Bonds4

About N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine

N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448054) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448054
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CCCC(C(C)C)C2)o1
InChIInChI=1S/C16H27NO/c1-11(2)14-6-5-7-15(10-14)17-13(4)16-9-8-12(3)18-16/h8-9,11,13-15,17H,5-7,10H2,1-4H3
InChIKeyANIAISXLHDWGBA-UHFFFAOYSA-N
XLogP4.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]cyclopentanamine
CID 43177408
N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 61016786
trans-(1S,2S)-2-[1-(5-methylfuran-2-yl)ethylamino]cyclopentan-1-ol
CID 102733183
N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43182952
(1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 81389168
N-[1-(5-bromofuran-2-yl)ethyl]cyclobutanamine
CID 104652955
2-[1-(5-methylfuran-2-yl)ethylamino]cyclohexan-1-ol
CID 61039875
3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107447910
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448603
1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 43224712
1-[4-[1-(5-methylfuran-2-yl)ethylamino]piperidin-1-yl]ethanone
CID 43224710
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448054) is N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine is Cc1ccc(C(C)NC2CCCC(C(C)C)C2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is ANIAISXLHDWGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)14-6-5-7-15(10-14)17-13(4)16-9-8-12(3)18-16/h8-9,11,13-15,17H,5-7,10H2,1-4H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).