(6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol

C15H32N2O — CID 166803061

IUPAC(6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol
SMILESCC=CC(C)(C(C)CC)C(O)[C@H](N)CCCCN
InChIInChI=1S/C15H32N2O/c1-5-10-15(4,12(3)6-2)14(18)13(17)9-7-8-11-16/h5,10,12-14,18H,6-9,11,16-17H2,1-4H3/t12?,13-,14?,15?/m1/s1
InChIKeyYAJBUBORSJNPLJ-MXTXEEQBSA-N
MW256.43 g/mol
LogP2.43
Rot. Bonds9

About (6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol

(6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol (PubChem CID 166803061) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is (6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol.

Molecular Properties

Compound Name(6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol
PubChem CID166803061
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name(6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol
SMILESCC=CC(C)(C(C)CC)C(O)[C@H](N)CCCCN
InChIInChI=1S/C15H32N2O/c1-5-10-15(4,12(3)6-2)14(18)13(17)9-7-8-11-16/h5,10,12-14,18H,6-9,11,16-17H2,1-4H3/t12?,13-,14?,15?/m1/s1
InChIKeyYAJBUBORSJNPLJ-MXTXEEQBSA-N
XLogP2.43
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol?
The IUPAC name of (6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol (CID 166803061) is (6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol.
What is the SMILES notation for (6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol?
The canonical SMILES for (6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol is CC=CC(C)(C(C)CC)C(O)[C@H](N)CCCCN.
What is the InChIKey of (6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol?
The InChIKey is YAJBUBORSJNPLJ-MXTXEEQBSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-10-15(4,12(3)6-2)14(18)13(17)9-7-8-11-16/h5,10,12-14,18H,6-9,11,16-17H2,1-4H3/t12?,13-,14?,15?/m1/s1.
What are the key properties of (6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol?
(6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol has a molecular weight of 256.43 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol is sourced from PubChem (CID 166803061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).