N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine

C17H30N2O — CID 62422313

IUPACN-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine
SMILESCCN(Cc1ccc(CNCC(C)C)o1)C1CCCC1
InChIInChI=1S/C17H30N2O/c1-4-19(15-7-5-6-8-15)13-17-10-9-16(20-17)12-18-11-14(2)3/h9-10,14-15,18H,4-8,11-13H2,1-3H3
InChIKeyZNJLXNOSNPICET-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds8

About N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine

N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine (PubChem CID 62422313) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine
PubChem CID62422313
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine
SMILESCCN(Cc1ccc(CNCC(C)C)o1)C1CCCC1
InChIInChI=1S/C17H30N2O/c1-4-19(15-7-5-6-8-15)13-17-10-9-16(20-17)12-18-11-14(2)3/h9-10,14-15,18H,4-8,11-13H2,1-3H3
InChIKeyZNJLXNOSNPICET-UHFFFAOYSA-N
XLogP3.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine (CID 62422313) is N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine is CCN(Cc1ccc(CNCC(C)C)o1)C1CCCC1.
What is the InChIKey of N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine?
The InChIKey is ZNJLXNOSNPICET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-19(15-7-5-6-8-15)13-17-10-9-16(20-17)12-18-11-14(2)3/h9-10,14-15,18H,4-8,11-13H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine?
N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 62422313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).