N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine

C17H29NO2 — CID 62445863

IUPACN-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1oc(COC2CCCCC2C)cc1CNC(C)C
InChIInChI=1S/C17H29NO2/c1-12(2)18-10-15-9-16(20-14(15)4)11-19-17-8-6-5-7-13(17)3/h9,12-13,17-18H,5-8,10-11H2,1-4H3
InChIKeyPWTLAVFIOVYKHK-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.18
Rot. Bonds6

About N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine

N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62445863) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62445863
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1oc(COC2CCCCC2C)cc1CNC(C)C
InChIInChI=1S/C17H29NO2/c1-12(2)18-10-15-9-16(20-14(15)4)11-19-17-8-6-5-7-13(17)3/h9,12-13,17-18H,5-8,10-11H2,1-4H3
InChIKeyPWTLAVFIOVYKHK-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexan-1-amine
CID 62463291
N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62455543
N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62445490
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
2-methyl-N-[[5-[(2-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62443568
N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62458167
N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540088
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62445373
N-[[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 82957504
N-[[5-[(2,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62431577
N-[[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62435989
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62445186

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine (CID 62445863) is N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine is Cc1oc(COC2CCCCC2C)cc1CNC(C)C.
What is the InChIKey of N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is PWTLAVFIOVYKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12(2)18-10-15-9-16(20-14(15)4)11-19-17-8-6-5-7-13(17)3/h9,12-13,17-18H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine?
N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62445863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).