N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine

C17H30N2O — CID 62424477

IUPACN-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine
SMILESCCNCc1cc(CN(CC)C2CCCCC2)oc1C
InChIInChI=1S/C17H30N2O/c1-4-18-12-15-11-17(20-14(15)3)13-19(5-2)16-9-7-6-8-10-16/h11,16,18H,4-10,12-13H2,1-3H3
InChIKeyTYZKYDGOXSGVQH-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.85
Rot. Bonds7

About N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine

N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine (PubChem CID 62424477) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine
PubChem CID62424477
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine
SMILESCCNCc1cc(CN(CC)C2CCCCC2)oc1C
InChIInChI=1S/C17H30N2O/c1-4-18-12-15-11-17(20-14(15)3)13-19(5-2)16-9-7-6-8-10-16/h11,16,18H,4-10,12-13H2,1-3H3
InChIKeyTYZKYDGOXSGVQH-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62421832
N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62430378
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62431881
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62418328
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N-[[2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-3-yl]methyl]ethanamine
CID 62435009
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine
CID 62423925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine?
The IUPAC name of N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine (CID 62424477) is N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine?
The canonical SMILES for N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine is CCNCc1cc(CN(CC)C2CCCCC2)oc1C.
What is the InChIKey of N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine?
The InChIKey is TYZKYDGOXSGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-18-12-15-11-17(20-14(15)3)13-19(5-2)16-9-7-6-8-10-16/h11,16,18H,4-10,12-13H2,1-3H3.
What are the key properties of N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine?
N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine has a molecular weight of 278.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine is sourced from PubChem (CID 62424477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).