1-N'-benzylprop-2-ene-1,1-diamine

C10H14N2 — CID 67413433

IUPAC1-N'-benzylprop-2-ene-1,1-diamine
SMILESC=CC(N)NCc1ccccc1
InChIInChI=1S/C10H14N2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7,10,12H,1,8,11H2
InChIKeyKCJAGTSORUKTON-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.25
Rot. Bonds4

About 1-N'-benzylprop-2-ene-1,1-diamine

1-N'-benzylprop-2-ene-1,1-diamine (PubChem CID 67413433) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-N'-benzylprop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-N'-benzylprop-2-ene-1,1-diamine
PubChem CID67413433
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-N'-benzylprop-2-ene-1,1-diamine
SMILESC=CC(N)NCc1ccccc1
InChIInChI=1S/C10H14N2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7,10,12H,1,8,11H2
InChIKeyKCJAGTSORUKTON-UHFFFAOYSA-N
XLogP1.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine
CID 173458068
N-benzyl-5-phenylpent-1-en-3-amine
CID 11402494
(4E)-N-benzylhexa-1,4-dien-3-amine
CID 11513891
(3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine
CID 10911987
(2S)-N-benzyl-1-phenylmethoxybut-3-en-2-amine
CID 23583582
CID 10991573
CID 10991573
(2R,3R)-2-(benzylamino)-3-methylpent-4-enoic acid
CID 124634030
2-amino-2-(benzylamino)acetic acid
CID 142782950
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
N-benzyl-2-methylidene-1-phenylbut-3-en-1-amine
CID 87483808
N-[(4-phenylphenyl)methyl]pent-4-en-2-amine
CID 115633215
(2S,3Z)-N-benzyl-1-phenylhexa-3,5-dien-2-amine
CID 10491814

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzylprop-2-ene-1,1-diamine?
The IUPAC name of 1-N'-benzylprop-2-ene-1,1-diamine (CID 67413433) is 1-N'-benzylprop-2-ene-1,1-diamine.
What is the SMILES notation for 1-N'-benzylprop-2-ene-1,1-diamine?
The canonical SMILES for 1-N'-benzylprop-2-ene-1,1-diamine is C=CC(N)NCc1ccccc1.
What is the InChIKey of 1-N'-benzylprop-2-ene-1,1-diamine?
The InChIKey is KCJAGTSORUKTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7,10,12H,1,8,11H2.
What are the key properties of 1-N'-benzylprop-2-ene-1,1-diamine?
1-N'-benzylprop-2-ene-1,1-diamine has a molecular weight of 162.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-benzylprop-2-ene-1,1-diamine is sourced from PubChem (CID 67413433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).