1-N'-phenylcyclopropane-1,1-diamine

C9H12N2 — CID 67611082

IUPAC1-N'-phenylcyclopropane-1,1-diamine
SMILESNC1(Nc2ccccc2)CC1
InChIInChI=1S/C9H12N2/c10-9(6-7-9)11-8-4-2-1-3-5-8/h1-5,11H,6-7,10H2
InChIKeyAAHPYWIEXWKBHZ-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.55
Rot. Bonds2

About 1-N'-phenylcyclopropane-1,1-diamine

1-N'-phenylcyclopropane-1,1-diamine (PubChem CID 67611082) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-N'-phenylcyclopropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-phenylcyclopropane-1,1-diamine
PubChem CID67611082
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-N'-phenylcyclopropane-1,1-diamine
SMILESNC1(Nc2ccccc2)CC1
InChIInChI=1S/C9H12N2/c10-9(6-7-9)11-8-4-2-1-3-5-8/h1-5,11H,6-7,10H2
InChIKeyAAHPYWIEXWKBHZ-UHFFFAOYSA-N
XLogP1.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-phenylcyclopropane-1,1-diamine?
The IUPAC name of 1-N'-phenylcyclopropane-1,1-diamine (CID 67611082) is 1-N'-phenylcyclopropane-1,1-diamine.
What is the SMILES notation for 1-N'-phenylcyclopropane-1,1-diamine?
The canonical SMILES for 1-N'-phenylcyclopropane-1,1-diamine is NC1(Nc2ccccc2)CC1.
What is the InChIKey of 1-N'-phenylcyclopropane-1,1-diamine?
The InChIKey is AAHPYWIEXWKBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-9(6-7-9)11-8-4-2-1-3-5-8/h1-5,11H,6-7,10H2.
What are the key properties of 1-N'-phenylcyclopropane-1,1-diamine?
1-N'-phenylcyclopropane-1,1-diamine has a molecular weight of 148.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-phenylcyclopropane-1,1-diamine is sourced from PubChem (CID 67611082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).