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

C13H25N3 — CID 145240225

IUPAC(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine
SMILESCC(C)CN(N)/C1=C(\N)CC[C@H]2C[C@H]2CC1
InChIInChI=1S/C13H25N3/c1-9(2)8-16(15)13-6-4-11-7-10(11)3-5-12(13)14/h9-11H,3-8,14-15H2,1-2H3/b13-12-/t10-,11+/m0/s1
InChIKeyCIJBYUVKMQUNRL-HDTCZIKISA-N
MW223.36 g/mol
LogP2.20
Rot. Bonds3

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

(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine (PubChem CID 145240225) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine.

Molecular Properties

Compound Name(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine
PubChem CID145240225
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine
SMILESCC(C)CN(N)/C1=C(\N)CC[C@H]2C[C@H]2CC1
InChIInChI=1S/C13H25N3/c1-9(2)8-16(15)13-6-4-11-7-10(11)3-5-12(13)14/h9-11H,3-8,14-15H2,1-2H3/b13-12-/t10-,11+/m0/s1
InChIKeyCIJBYUVKMQUNRL-HDTCZIKISA-N
XLogP2.20
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine?
The IUPAC name of (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine (CID 145240225) is (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine.
What is the SMILES notation for (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine?
The canonical SMILES for (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine is CC(C)CN(N)/C1=C(\N)CC[C@H]2C[C@H]2CC1.
What is the InChIKey of (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine?
The InChIKey is CIJBYUVKMQUNRL-HDTCZIKISA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)8-16(15)13-6-4-11-7-10(11)3-5-12(13)14/h9-11H,3-8,14-15H2,1-2H3/b13-12-/t10-,11+/m0/s1.
What are the key properties of (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine?
(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine has a molecular weight of 223.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine is sourced from PubChem (CID 145240225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).