(2R)-N-benzylhex-5-en-2-amine

C13H19N — CID 97107585

IUPAC(2R)-N-benzylhex-5-en-2-amine
SMILESC=CCC[C@@H](C)NCc1ccccc1
InChIInChI=1S/C13H19N/c1-3-4-8-12(2)14-11-13-9-6-5-7-10-13/h3,5-7,9-10,12,14H,1,4,8,11H2,2H3/t12-/m1/s1
InChIKeyQQSXKUNQPWLVBJ-GFCCVEGCSA-N
MW189.30 g/mol
LogP3.13
Rot. Bonds6

About (2R)-N-benzylhex-5-en-2-amine

(2R)-N-benzylhex-5-en-2-amine (PubChem CID 97107585) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2R)-N-benzylhex-5-en-2-amine.

Molecular Properties

Compound Name(2R)-N-benzylhex-5-en-2-amine
PubChem CID97107585
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2R)-N-benzylhex-5-en-2-amine
SMILESC=CCC[C@@H](C)NCc1ccccc1
InChIInChI=1S/C13H19N/c1-3-4-8-12(2)14-11-13-9-6-5-7-10-13/h3,5-7,9-10,12,14H,1,4,8,11H2,2H3/t12-/m1/s1
InChIKeyQQSXKUNQPWLVBJ-GFCCVEGCSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]hex-5-en-2-amine
CID 75525488
N-[(3-fluorophenyl)methyl]hex-5-en-2-amine
CID 75525500
N-benzyl-5-methylhexan-2-amine
CID 43177530
N-(pyridin-2-ylmethyl)hex-5-en-2-amine
CID 75525482
(2S)-N-benzyl-4-chlorobutan-2-amine
CID 10776031
N-benzyl-4-chlorobutan-2-amine
CID 85264317
N-[(3,4-difluorophenyl)methyl]hex-5-en-2-amine
CID 104581930
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999
3-N-benzyl-1-N-bromobutane-1,3-diamine
CID 123611017
N-[(4-phenylphenyl)methyl]pent-4-en-2-amine
CID 115633215
N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine
CID 104582439

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzylhex-5-en-2-amine?
The IUPAC name of (2R)-N-benzylhex-5-en-2-amine (CID 97107585) is (2R)-N-benzylhex-5-en-2-amine.
What is the SMILES notation for (2R)-N-benzylhex-5-en-2-amine?
The canonical SMILES for (2R)-N-benzylhex-5-en-2-amine is C=CCC[C@@H](C)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzylhex-5-en-2-amine?
The InChIKey is QQSXKUNQPWLVBJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N/c1-3-4-8-12(2)14-11-13-9-6-5-7-10-13/h3,5-7,9-10,12,14H,1,4,8,11H2,2H3/t12-/m1/s1.
What are the key properties of (2R)-N-benzylhex-5-en-2-amine?
(2R)-N-benzylhex-5-en-2-amine has a molecular weight of 189.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzylhex-5-en-2-amine is sourced from PubChem (CID 97107585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).