(1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine

C15H28N4O — CID 126541883

IUPAC(1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine
SMILESCC(C)(C)CN(N)/C1=C(\N)CC[C@@H]2[C@H](CC1)[C@@H]2CN=O
InChIInChI=1S/C15H28N4O/c1-15(2,3)9-19(17)14-7-5-11-10(4-6-13(14)16)12(11)8-18-20/h10-12H,4-9,16-17H2,1-3H3/b14-13-/t10-,11+,12-/m1/s1
InChIKeyIIEMCRDLJUUOSC-GPPBQUTDSA-N
MW280.42 g/mol
LogP2.58
Rot. Bonds4

About (1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine

(1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine (PubChem CID 126541883) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is (1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine.

Molecular Properties

Compound Name(1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine
PubChem CID126541883
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name(1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine
SMILESCC(C)(C)CN(N)/C1=C(\N)CC[C@@H]2[C@H](CC1)[C@@H]2CN=O
InChIInChI=1S/C15H28N4O/c1-15(2,3)9-19(17)14-7-5-11-10(4-6-13(14)16)12(11)8-18-20/h10-12H,4-9,16-17H2,1-3H3/b14-13-/t10-,11+,12-/m1/s1
InChIKeyIIEMCRDLJUUOSC-GPPBQUTDSA-N
XLogP2.58
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(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
(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 145240224
(4Z,8S)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 153579649
(4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine
CID 155152278
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 155721371
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine
CID 142474588
(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine
CID 145240225
(4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine
CID 145240232
(4Z,8S)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine
CID 153579650
CID 178661991
CID 178661991

Frequently Asked Questions

What is the IUPAC name of (1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine?
The IUPAC name of (1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine (CID 126541883) is (1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine.
What is the SMILES notation for (1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine?
The canonical SMILES for (1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine is CC(C)(C)CN(N)/C1=C(\N)CC[C@@H]2[C@H](CC1)[C@@H]2CN=O.
What is the InChIKey of (1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine?
The InChIKey is IIEMCRDLJUUOSC-GPPBQUTDSA-N. The full InChI is InChI=1S/C15H28N4O/c1-15(2,3)9-19(17)14-7-5-11-10(4-6-13(14)16)12(11)8-18-20/h10-12H,4-9,16-17H2,1-3H3/b14-13-/t10-,11+,12-/m1/s1.
What are the key properties of (1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine?
(1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine has a molecular weight of 280.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine is sourced from PubChem (CID 126541883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).