(6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol

C14H30N2O — CID 166779870

IUPAC(6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol
SMILESCC=CC(C)(C(C)C)C(O)[C@H](N)CCCCN
InChIInChI=1S/C14H30N2O/c1-5-9-14(4,11(2)3)13(17)12(16)8-6-7-10-15/h5,9,11-13,17H,6-8,10,15-16H2,1-4H3/t12-,13?,14?/m1/s1
InChIKeyHLMKQRCZRLLIKB-IYXRBSQSSA-N
MW242.41 g/mol
LogP2.04
Rot. Bonds8

About (6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol

(6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol (PubChem CID 166779870) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol.

Molecular Properties

Compound Name(6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol
PubChem CID166779870
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol
SMILESCC=CC(C)(C(C)C)C(O)[C@H](N)CCCCN
InChIInChI=1S/C14H30N2O/c1-5-9-14(4,11(2)3)13(17)12(16)8-6-7-10-15/h5,9,11-13,17H,6-8,10,15-16H2,1-4H3/t12-,13?,14?/m1/s1
InChIKeyHLMKQRCZRLLIKB-IYXRBSQSSA-N
XLogP2.04
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.04
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-methyl-4-propan-2-yldec-2-en-5-ol?
The IUPAC name of (6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol (CID 166779870) is (6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol.
What is the SMILES notation for (6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol?
The canonical SMILES for (6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol is CC=CC(C)(C(C)C)C(O)[C@H](N)CCCCN.
What is the InChIKey of (6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol?
The InChIKey is HLMKQRCZRLLIKB-IYXRBSQSSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-9-14(4,11(2)3)13(17)12(16)8-6-7-10-15/h5,9,11-13,17H,6-8,10,15-16H2,1-4H3/t12-,13?,14?/m1/s1.
What are the key properties of (6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol?
(6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol has a molecular weight of 242.41 g/mol, XLogP of 2.04, 8 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-methyl-4-propan-2-yldec-2-en-5-ol is sourced from PubChem (CID 166779870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).