(4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine

C11H20N2 — CID 154931613

IUPAC(4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine
SMILESCN/C1=C(\NC)CCC2CC2CC1
InChIInChI=1S/C11H20N2/c1-12-10-5-3-8-7-9(8)4-6-11(10)13-2/h8-9,12-13H,3-7H2,1-2H3/b11-10-
InChIKeyLHWOCISNJLETGT-KHPPLWFESA-N
MW180.30 g/mol
LogP1.85
Rot. Bonds2

About (4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine

(4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine (PubChem CID 154931613) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine.

Molecular Properties

Compound Name(4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine
PubChem CID154931613
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name(4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine
SMILESCN/C1=C(\NC)CCC2CC2CC1
InChIInChI=1S/C11H20N2/c1-12-10-5-3-8-7-9(8)4-6-11(10)13-2/h8-9,12-13H,3-7H2,1-2H3/b11-10-
InChIKeyLHWOCISNJLETGT-KHPPLWFESA-N
XLogP1.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine?
The IUPAC name of (4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine (CID 154931613) is (4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine.
What is the SMILES notation for (4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine?
The canonical SMILES for (4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine is CN/C1=C(\NC)CCC2CC2CC1.
What is the InChIKey of (4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine?
The InChIKey is LHWOCISNJLETGT-KHPPLWFESA-N. The full InChI is InChI=1S/C11H20N2/c1-12-10-5-3-8-7-9(8)4-6-11(10)13-2/h8-9,12-13H,3-7H2,1-2H3/b11-10-.
What are the key properties of (4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine?
(4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine has a molecular weight of 180.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine is sourced from PubChem (CID 154931613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).