1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine

C7H16N2 — CID 166726965

IUPAC1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine
SMILESCNC(C)(NC)C1CC1
InChIInChI=1S/C7H16N2/c1-7(8-2,9-3)6-4-5-6/h6,8-9H,4-5H2,1-3H3
InChIKeyKLKQTVUIAKJTCG-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.55
Rot. Bonds3

About 1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine

1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine (PubChem CID 166726965) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine.

Molecular Properties

Compound Name1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine
PubChem CID166726965
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine
SMILESCNC(C)(NC)C1CC1
InChIInChI=1S/C7H16N2/c1-7(8-2,9-3)6-4-5-6/h6,8-9H,4-5H2,1-3H3
InChIKeyKLKQTVUIAKJTCG-UHFFFAOYSA-N
XLogP0.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.55
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-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine?
The IUPAC name of 1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine (CID 166726965) is 1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine.
What is the SMILES notation for 1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine?
The canonical SMILES for 1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine is CNC(C)(NC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine?
The InChIKey is KLKQTVUIAKJTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(8-2,9-3)6-4-5-6/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine?
1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-N,1-N'-dimethylethane-1,1-diamine is sourced from PubChem (CID 166726965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).