N-benzyl-3-deuterioprop-2-en-1-amine

C10H13N — CID 16686204

IUPACN-benzyl-3-deuterioprop-2-en-1-amine
SMILES[2H]/C=C/CNCc1ccccc1
InChIInChI=1S/C10H13N/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2/i1D/b2-1+
InChIKeyRHUCQDQRNUUMKY-GXFUBBPWSA-N
MW148.23 g/mol
LogP1.96
Rot. Bonds4

About N-benzyl-3-deuterioprop-2-en-1-amine

N-benzyl-3-deuterioprop-2-en-1-amine (PubChem CID 16686204) has the molecular formula C10H13N and a molecular weight of 148.23 g/mol. Its IUPAC name is N-benzyl-3-deuterioprop-2-en-1-amine.

Molecular Properties

Compound NameN-benzyl-3-deuterioprop-2-en-1-amine
PubChem CID16686204
Molecular FormulaC10H13N
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC NameN-benzyl-3-deuterioprop-2-en-1-amine
SMILES[2H]/C=C/CNCc1ccccc1
InChIInChI=1S/C10H13N/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2/i1D/b2-1+
InChIKeyRHUCQDQRNUUMKY-GXFUBBPWSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzylprop-2-en-1-amine;2-phenylethanamine
CID 70268529
2-(benzylamino)acetaldehyde
CID 2769654
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N'-benzylprop-1-ene-1,3-diamine
CID 70630128
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-benzyl-3-methylbut-2-en-1-amine;hydrobromide
CID 173401181
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-benzyl-2-iminoethanamine;molecular hydrogen
CID 156849482
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
N-[(3-bromophenyl)methyl]prop-2-en-1-amine
CID 4717920
N-[[3-(chloromethyl)phenyl]methyl]prop-2-en-1-amine
CID 65024541

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-deuterioprop-2-en-1-amine?
The IUPAC name of N-benzyl-3-deuterioprop-2-en-1-amine (CID 16686204) is N-benzyl-3-deuterioprop-2-en-1-amine.
What is the SMILES notation for N-benzyl-3-deuterioprop-2-en-1-amine?
The canonical SMILES for N-benzyl-3-deuterioprop-2-en-1-amine is [2H]/C=C/CNCc1ccccc1.
What is the InChIKey of N-benzyl-3-deuterioprop-2-en-1-amine?
The InChIKey is RHUCQDQRNUUMKY-GXFUBBPWSA-N. The full InChI is InChI=1S/C10H13N/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2/i1D/b2-1+.
What are the key properties of N-benzyl-3-deuterioprop-2-en-1-amine?
N-benzyl-3-deuterioprop-2-en-1-amine has a molecular weight of 148.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-deuterioprop-2-en-1-amine is sourced from PubChem (CID 16686204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).