N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine

C16H28N2O — CID 62434036

IUPACN-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine
SMILESCCNCc1ccc(CN(C)C2CCCCCC2)o1
InChIInChI=1S/C16H28N2O/c1-3-17-12-15-10-11-16(19-15)13-18(2)14-8-6-4-5-7-9-14/h10-11,14,17H,3-9,12-13H2,1-2H3
InChIKeyJFHJWBGLDAKGOX-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.54
Rot. Bonds6

About N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine

N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine (PubChem CID 62434036) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine
PubChem CID62434036
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine
SMILESCCNCc1ccc(CN(C)C2CCCCCC2)o1
InChIInChI=1S/C16H28N2O/c1-3-17-12-15-10-11-16(19-15)13-18(2)14-8-6-4-5-7-9-14/h10-11,14,17H,3-9,12-13H2,1-2H3
InChIKeyJFHJWBGLDAKGOX-UHFFFAOYSA-N
XLogP3.54
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 55073598
N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62418314
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 62421855
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62418506
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62431881
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417034
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpropan-2-amine
CID 62424825
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-methylcyclopentanamine
CID 55074631
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62417583
1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432459
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine
CID 106905571
N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 79312711

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine (CID 62434036) is N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine is CCNCc1ccc(CN(C)C2CCCCCC2)o1.
What is the InChIKey of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine?
The InChIKey is JFHJWBGLDAKGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-17-12-15-10-11-16(19-15)13-18(2)14-8-6-4-5-7-9-14/h10-11,14,17H,3-9,12-13H2,1-2H3.
What are the key properties of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine?
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine has a molecular weight of 264.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 62434036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).