[(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol

C16H31N3O — CID 126542507

IUPAC[(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol
SMILESCC12CCC/C(N)=C(/N(N)C(C)(C)C)CCC1[C@H]2CO
InChIInChI=1S/C16H31N3O/c1-15(2,3)19(18)14-8-7-11-12(10-20)16(11,4)9-5-6-13(14)17/h11-12,20H,5-10,17-18H2,1-4H3/b14-13-/t11?,12-,16?/m1/s1
InChIKeyNARUDSUPEUVOOG-ZZAQGRJLSA-N
MW281.44 g/mol
LogP2.34
Rot. Bonds2

About [(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol

[(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol (PubChem CID 126542507) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol.

Molecular Properties

Compound Name[(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol
PubChem CID126542507
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol
SMILESCC12CCC/C(N)=C(/N(N)C(C)(C)C)CCC1[C@H]2CO
InChIInChI=1S/C16H31N3O/c1-15(2,3)19(18)14-8-7-11-12(10-20)16(11,4)9-5-6-13(14)17/h11-12,20H,5-10,17-18H2,1-4H3/b14-13-/t11?,12-,16?/m1/s1
InChIKeyNARUDSUPEUVOOG-ZZAQGRJLSA-N
XLogP2.34
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.34
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,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol?
The IUPAC name of [(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol (CID 126542507) is [(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol.
What is the SMILES notation for [(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol?
The canonical SMILES for [(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol is CC12CCC/C(N)=C(/N(N)C(C)(C)C)CCC1[C@H]2CO.
What is the InChIKey of [(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol?
The InChIKey is NARUDSUPEUVOOG-ZZAQGRJLSA-N. The full InChI is InChI=1S/C16H31N3O/c1-15(2,3)19(18)14-8-7-11-12(10-20)16(11,4)9-5-6-13(14)17/h11-12,20H,5-10,17-18H2,1-4H3/b14-13-/t11?,12-,16?/m1/s1.
What are the key properties of [(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol?
[(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol has a molecular weight of 281.44 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,10R)-5-amino-4-[amino(tert-butyl)amino]-9-methyl-10-bicyclo[7.1.0]dec-4-enyl]methanol is sourced from PubChem (CID 126542507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).