(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine

C16H20N2O — CID 78978055

IUPAC(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
SMILESCC1CC1c1ccc(CN[C@@H](C)c2ccccn2)o1
InChIInChI=1S/C16H20N2O/c1-11-9-14(11)16-7-6-13(19-16)10-18-12(2)15-5-3-4-8-17-15/h3-8,11-12,14,18H,9-10H2,1-2H3/t11?,12-,14?/m0/s1
InChIKeyRKVMWSSKMGCSIB-LXVYMNJGSA-N
MW256.35 g/mol
LogP3.65
Rot. Bonds5

About (1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine

(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine (PubChem CID 78978055) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
PubChem CID78978055
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
SMILESCC1CC1c1ccc(CN[C@@H](C)c2ccccn2)o1
InChIInChI=1S/C16H20N2O/c1-11-9-14(11)16-7-6-13(19-16)10-18-12(2)15-5-3-4-8-17-15/h3-8,11-12,14,18H,9-10H2,1-2H3/t11?,12-,14?/m0/s1
InChIKeyRKVMWSSKMGCSIB-LXVYMNJGSA-N
XLogP3.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 42919824
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43230736
N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 60664381
(1R)-1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81377243
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 78998178
1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43180811
1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43079068
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine
CID 115640014
N-(1,2-oxazol-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 103605434
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol
CID 63182317
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid
CID 62109475

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine (CID 78978055) is (1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine is CC1CC1c1ccc(CN[C@@H](C)c2ccccn2)o1.
What is the InChIKey of (1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine?
The InChIKey is RKVMWSSKMGCSIB-LXVYMNJGSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-9-14(11)16-7-6-13(19-16)10-18-12(2)15-5-3-4-8-17-15/h3-8,11-12,14,18H,9-10H2,1-2H3/t11?,12-,14?/m0/s1.
What are the key properties of (1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine?
(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 78978055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).