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

C9H18N4 — CID 155721302

IUPAC(4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine
SMILESN/C1=C(\N(N)N)CCC2CC2CC1
InChIInChI=1S/C9H18N4/c10-8-3-1-6-5-7(6)2-4-9(8)13(11)12/h6-7H,1-5,10-12H2/b9-8-
InChIKeyMXIUWVDCPZHZPL-HJWRWDBZSA-N
MW182.27 g/mol
LogP0.42
Rot. Bonds1

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

(4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine (PubChem CID 155721302) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is (4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine.

Molecular Properties

Compound Name(4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine
PubChem CID155721302
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name(4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine
SMILESN/C1=C(\N(N)N)CCC2CC2CC1
InChIInChI=1S/C9H18N4/c10-8-3-1-6-5-7(6)2-4-9(8)13(11)12/h6-7H,1-5,10-12H2/b9-8-
InChIKeyMXIUWVDCPZHZPL-HJWRWDBZSA-N
XLogP0.42
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S,6R)-5-(iodomethyl)-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene
CID 118320487
(4Z)-5-[amino(methyl)amino]-9-methylbicyclo[6.1.0]non-4-en-4-amine
CID 126707591
(1S,4Z,8R,9R)-5-[amino(methyl)amino]-9-methylbicyclo[6.1.0]non-4-en-4-amine
CID 132099508
(4Z)-5-hydrazinyl-9-methylbicyclo[6.1.0]non-4-en-4-amine
CID 139480805
(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 145240224
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine
CID 153397872
(4Z,8S)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 153579649
(4Z)-5-hydrazinyl-9-propan-2-ylbicyclo[6.1.0]non-4-en-4-amine
CID 154992967
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine
CID 155714672
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 155721371
(4Z)-5-hydrazinylbicyclo[6.1.0]non-4-en-4-amine
CID 170071501
5-Methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine
CID 170275343

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine?
The IUPAC name of (4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine (CID 155721302) is (4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine.
What is the SMILES notation for (4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine?
The canonical SMILES for (4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine is N/C1=C(\N(N)N)CCC2CC2CC1.
What is the InChIKey of (4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine?
The InChIKey is MXIUWVDCPZHZPL-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H18N4/c10-8-3-1-6-5-7(6)2-4-9(8)13(11)12/h6-7H,1-5,10-12H2/b9-8-.
What are the key properties of (4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine?
(4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine is sourced from PubChem (CID 155721302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).