N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine

C15H26N2O — CID 55069371

IUPACN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCc1oc(CN)cc1CN(C)C1CCC(C)CC1
InChIInChI=1S/C15H26N2O/c1-11-4-6-14(7-5-11)17(3)10-13-8-15(9-16)18-12(13)2/h8,11,14H,4-7,9-10,16H2,1-3H3
InChIKeyJZOZGBNEGDNYEE-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.06
Rot. Bonds4

About N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine

N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 55069371) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID55069371
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCc1oc(CN)cc1CN(C)C1CCC(C)CC1
InChIInChI=1S/C15H26N2O/c1-11-4-6-14(7-5-11)17(3)10-13-8-15(9-16)18-12(13)2/h8,11,14H,4-7,9-10,16H2,1-3H3
InChIKeyJZOZGBNEGDNYEE-UHFFFAOYSA-N
XLogP3.06
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62434217
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 55073646
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-propylcyclopropanamine
CID 62422354
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcycloheptanamine
CID 55073900
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcyclohexanamine
CID 62424073
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 64770083
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62411963
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425372
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62431880
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430229
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine (CID 55069371) is N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine is Cc1oc(CN)cc1CN(C)C1CCC(C)CC1.
What is the InChIKey of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is JZOZGBNEGDNYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-4-6-14(7-5-11)17(3)10-13-8-15(9-16)18-12(13)2/h8,11,14H,4-7,9-10,16H2,1-3H3.
What are the key properties of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55069371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).