N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine

C18H29NO2 — CID 62455543

IUPACN-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1oc(COCC2CC=CCC2C)cc1CNC(C)C
InChIInChI=1S/C18H29NO2/c1-13(2)19-10-17-9-18(21-15(17)4)12-20-11-16-8-6-5-7-14(16)3/h5-6,9,13-14,16,19H,7-8,10-12H2,1-4H3
InChIKeyOTHCSLFMMMIVLF-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.20
Rot. Bonds7

About N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine

N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62455543) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62455543
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1oc(COCC2CC=CCC2C)cc1CNC(C)C
InChIInChI=1S/C18H29NO2/c1-13(2)19-10-17-9-18(21-15(17)4)12-20-11-16-8-6-5-7-14(16)3/h5-6,9,13-14,16,19H,7-8,10-12H2,1-4H3
InChIKeyOTHCSLFMMMIVLF-UHFFFAOYSA-N
XLogP4.20
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine
CID 62456474
N-[[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 82957504
N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62445863
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexan-1-amine
CID 62463291
N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62443396
2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62455545
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
1-[5-(cyclopentylmethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 66323991
N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540088
N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62458167
N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine
CID 81464162

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine (CID 62455543) is N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine is Cc1oc(COCC2CC=CCC2C)cc1CNC(C)C.
What is the InChIKey of N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is OTHCSLFMMMIVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)19-10-17-9-18(21-15(17)4)12-20-11-16-8-6-5-7-14(16)3/h5-6,9,13-14,16,19H,7-8,10-12H2,1-4H3.
What are the key properties of N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine?
N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62455543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).