(2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine

C16H19NO — CID 831896

IUPAC(2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine
SMILESC=CC[C@](C)(NCc1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-3-11-16(2,15-10-7-12-18-15)17-13-14-8-5-4-6-9-14/h3-10,12,17H,1,11,13H2,2H3/t16-/m0/s1
InChIKeyDIZRSPDTAORNSB-INIZCTEOSA-N
MW241.33 g/mol
LogP3.86
Rot. Bonds6

About (2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine

(2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine (PubChem CID 831896) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine
PubChem CID831896
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine
SMILESC=CC[C@](C)(NCc1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-3-11-16(2,15-10-7-12-18-15)17-13-14-8-5-4-6-9-14/h3-10,12,17H,1,11,13H2,2H3/t16-/m0/s1
InChIKeyDIZRSPDTAORNSB-INIZCTEOSA-N
XLogP3.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine
CID 102481458
(2S)-2-(benzylamino)-2-methylbut-3-en-1-ol
CID 131187397
1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol
CID 162772868
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
3,3-dimethylhex-5-enyl furan-2-carboxylate
CID 134970089
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
5-(furan-2-yl)nona-1,8-dien-5-ol
CID 101465599
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592
ethyl 2-formyl-2-(furan-2-yl)pent-4-enoate
CID 122202558
2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
CID 61046917
2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
N'-(4-methylnon-1-en-4-yl)furan-2-carbohydrazide
CID 134860431

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine?
The IUPAC name of (2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine (CID 831896) is (2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine.
What is the SMILES notation for (2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine?
The canonical SMILES for (2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine is C=CC[C@](C)(NCc1ccccc1)c1ccco1.
What is the InChIKey of (2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine?
The InChIKey is DIZRSPDTAORNSB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-11-16(2,15-10-7-12-18-15)17-13-14-8-5-4-6-9-14/h3-10,12,17H,1,11,13H2,2H3/t16-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine?
(2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine has a molecular weight of 241.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine is sourced from PubChem (CID 831896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).