N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine

C17H30N2O — CID 62412493

IUPACN,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
SMILESCCCNCc1coc(CN(C)C2CCC(C)CC2)c1
InChIInChI=1S/C17H30N2O/c1-4-9-18-11-15-10-17(20-13-15)12-19(3)16-7-5-14(2)6-8-16/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeyOKHSGJXBDIIFMJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds7

About N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine

N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine (PubChem CID 62412493) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
PubChem CID62412493
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
SMILESCCCNCc1coc(CN(C)C2CCC(C)CC2)c1
InChIInChI=1S/C17H30N2O/c1-4-9-18-11-15-10-17(20-13-15)12-19(3)16-7-5-14(2)6-8-16/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeyOKHSGJXBDIIFMJ-UHFFFAOYSA-N
XLogP3.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 78990027
N-(2-methoxyethyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434699
N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527
N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62446230
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682543
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 55072095
N-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62423538
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine (CID 62412493) is N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine is CCCNCc1coc(CN(C)C2CCC(C)CC2)c1.
What is the InChIKey of N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine?
The InChIKey is OKHSGJXBDIIFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-9-18-11-15-10-17(20-13-15)12-19(3)16-7-5-14(2)6-8-16/h10,13-14,16,18H,4-9,11-12H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine?
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62412493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).