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

C17H29NO — CID 55191977

IUPACN-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCCC1CCC(CNC(C)CCc2ccco2)CC1
InChIInChI=1S/C17H29NO/c1-3-15-7-9-16(10-8-15)13-18-14(2)6-11-17-5-4-12-19-17/h4-5,12,14-16,18H,3,6-11,13H2,1-2H3
InChIKeyDOXKLMXYHIGDOD-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.41
Rot. Bonds7

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

N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 55191977) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID55191977
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCCC1CCC(CNC(C)CCc2ccco2)CC1
InChIInChI=1S/C17H29NO/c1-3-15-7-9-16(10-8-15)13-18-14(2)6-11-17-5-4-12-19-17/h4-5,12,14-16,18H,3,6-11,13H2,1-2H3
InChIKeyDOXKLMXYHIGDOD-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004063
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
CID 65082213
4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine
CID 55013434
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 79527667
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine
CID 43478908
1-cyclopropyl-5-(furan-2-yl)-N-propylpentan-3-amine
CID 105157945
1-(furan-2-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63085135

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine (CID 55191977) is N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine is CCC1CCC(CNC(C)CCc2ccco2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is DOXKLMXYHIGDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-15-7-9-16(10-8-15)13-18-14(2)6-11-17-5-4-12-19-17/h4-5,12,14-16,18H,3,6-11,13H2,1-2H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine?
N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 55191977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).