N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine

C11H17NO — CID 81400648

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine
SMILESC=C(CC)CN[C@H](C)c1ccco1
InChIInChI=1S/C11H17NO/c1-4-9(2)8-12-10(3)11-6-5-7-13-11/h5-7,10,12H,2,4,8H2,1,3H3/t10-/m1/s1
InChIKeyWZQUEFLKQNOZLG-SNVBAGLBSA-N
MW179.26 g/mol
LogP2.90
Rot. Bonds5

About N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine

N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine (PubChem CID 81400648) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine
PubChem CID81400648
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine
SMILESC=C(CC)CN[C@H](C)c1ccco1
InChIInChI=1S/C11H17NO/c1-4-9(2)8-12-10(3)11-6-5-7-13-11/h5-7,10,12H,2,4,8H2,1,3H3/t10-/m1/s1
InChIKeyWZQUEFLKQNOZLG-SNVBAGLBSA-N
XLogP2.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine 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,N-diethyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401823
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
CID 81399983
N-ethyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 81399721
N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
2-[1-(furan-2-yl)ethylamino]-N-(oxan-4-yl)acetamide
CID 55182265
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
CID 81400852
N-carbamoyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401074
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
1-[1-(furan-2-yl)ethylamino]-2-methylpropan-2-ol
CID 60885068
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine (CID 81400648) is N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine is C=C(CC)CN[C@H](C)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine?
The InChIKey is WZQUEFLKQNOZLG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-9(2)8-12-10(3)11-6-5-7-13-11/h5-7,10,12H,2,4,8H2,1,3H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine?
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine is sourced from PubChem (CID 81400648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).