1-N'-phenylprop-2-yne-1,1-diamine

C9H10N2 — CID 57229627

IUPAC1-N'-phenylprop-2-yne-1,1-diamine
SMILESC#CC(N)Nc1ccccc1
InChIInChI=1S/C9H10N2/c1-2-9(10)11-8-6-4-3-5-7-8/h1,3-7,9,11H,10H2
InChIKeyOXCIBWKOPFKSLC-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.02
Rot. Bonds2

About 1-N'-phenylprop-2-yne-1,1-diamine

1-N'-phenylprop-2-yne-1,1-diamine (PubChem CID 57229627) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-N'-phenylprop-2-yne-1,1-diamine.

Molecular Properties

Compound Name1-N'-phenylprop-2-yne-1,1-diamine
PubChem CID57229627
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1-N'-phenylprop-2-yne-1,1-diamine
SMILESC#CC(N)Nc1ccccc1
InChIInChI=1S/C9H10N2/c1-2-9(10)11-8-6-4-3-5-7-8/h1,3-7,9,11H,10H2
InChIKeyOXCIBWKOPFKSLC-UHFFFAOYSA-N
XLogP1.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.02
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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1-N-methyl-1-N'-phenylethane-1,1-diamine
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diphenylmethanamine;N-phenylaniline
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3-amino-3-anilinopropan-1-ol
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3-amino-3-anilinopropanal
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2-methoxy-1-N'-phenylethane-1,1-diamine
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N-(1,3-diphenylprop-2-ynyl)aniline
CID 11196846
4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine
CID 66809670
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Frequently Asked Questions

What is the IUPAC name of 1-N'-phenylprop-2-yne-1,1-diamine?
The IUPAC name of 1-N'-phenylprop-2-yne-1,1-diamine (CID 57229627) is 1-N'-phenylprop-2-yne-1,1-diamine.
What is the SMILES notation for 1-N'-phenylprop-2-yne-1,1-diamine?
The canonical SMILES for 1-N'-phenylprop-2-yne-1,1-diamine is C#CC(N)Nc1ccccc1.
What is the InChIKey of 1-N'-phenylprop-2-yne-1,1-diamine?
The InChIKey is OXCIBWKOPFKSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-9(10)11-8-6-4-3-5-7-8/h1,3-7,9,11H,10H2.
What are the key properties of 1-N'-phenylprop-2-yne-1,1-diamine?
1-N'-phenylprop-2-yne-1,1-diamine has a molecular weight of 146.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-phenylprop-2-yne-1,1-diamine is sourced from PubChem (CID 57229627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).