4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine

C16H27NO — CID 55013434

IUPAC4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine
SMILESCC(CCc1ccco1)NCC1CCCCC1C
InChIInChI=1S/C16H27NO/c1-13-6-3-4-7-15(13)12-17-14(2)9-10-16-8-5-11-18-16/h5,8,11,13-15,17H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyUUFJYVHFRNWYAL-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.02
Rot. Bonds6

About 4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine

4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine (PubChem CID 55013434) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine
PubChem CID55013434
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine
SMILESCC(CCc1ccco1)NCC1CCCCC1C
InChIInChI=1S/C16H27NO/c1-13-6-3-4-7-15(13)12-17-14(2)9-10-16-8-5-11-18-16/h5,8,11,13-15,17H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyUUFJYVHFRNWYAL-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55191977
3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004063
N-(furan-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107178330
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379
2-[[1-(furan-2-yl)propan-2-ylamino]methyl]cyclopentan-1-amine
CID 64851073
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 128976319
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 103782679
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
(2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 99777622
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
CID 102671262

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine (CID 55013434) is 4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine is CC(CCc1ccco1)NCC1CCCCC1C.
What is the InChIKey of 4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine?
The InChIKey is UUFJYVHFRNWYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13-6-3-4-7-15(13)12-17-14(2)9-10-16-8-5-11-18-16/h5,8,11,13-15,17H,3-4,6-7,9-10,12H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine?
4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine is sourced from PubChem (CID 55013434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).