[(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol

C15H29N3O — CID 126542513

IUPAC[(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol
SMILESCC(C)(C)CN(N)/C1=C(\N)CCC2C(CC1)[C@H]2CO
InChIInChI=1S/C15H29N3O/c1-15(2,3)9-18(17)14-7-5-11-10(12(11)8-19)4-6-13(14)16/h10-12,19H,4-9,16-17H2,1-3H3/b14-13-/t10?,11?,12-/m0/s1
InChIKeyPZZIRDBSDJGOJS-XLTYMOOCSA-N
MW267.42 g/mol
LogP1.81
Rot. Bonds3

About [(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol

[(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol (PubChem CID 126542513) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol.

Molecular Properties

Compound Name[(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol
PubChem CID126542513
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol
SMILESCC(C)(C)CN(N)/C1=C(\N)CCC2C(CC1)[C@H]2CO
InChIInChI=1S/C15H29N3O/c1-15(2,3)9-18(17)14-7-5-11-10(12(11)8-19)4-6-13(14)16/h10-12,19H,4-9,16-17H2,1-3H3/b14-13-/t10?,11?,12-/m0/s1
InChIKeyPZZIRDBSDJGOJS-XLTYMOOCSA-N
XLogP1.81
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.81
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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Frequently Asked Questions

What is the IUPAC name of [(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol?
The IUPAC name of [(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol (CID 126542513) is [(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol.
What is the SMILES notation for [(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol?
The canonical SMILES for [(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol is CC(C)(C)CN(N)/C1=C(\N)CCC2C(CC1)[C@H]2CO.
What is the InChIKey of [(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol?
The InChIKey is PZZIRDBSDJGOJS-XLTYMOOCSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2,3)9-18(17)14-7-5-11-10(12(11)8-19)4-6-13(14)16/h10-12,19H,4-9,16-17H2,1-3H3/b14-13-/t10?,11?,12-/m0/s1.
What are the key properties of [(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol?
[(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol has a molecular weight of 267.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,9S)-4-amino-5-[amino(2,2-dimethylpropyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methanol is sourced from PubChem (CID 126542513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).