2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol

C19H39NO — CID 146601894

IUPAC2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol
SMILESCC(C)(C)CC(C)(C)/C=C\C(C)(C)CC(C)(C)NCCO
InChIInChI=1S/C19H39NO/c1-16(2,3)14-17(4,5)10-11-18(6,7)15-19(8,9)20-12-13-21/h10-11,20-21H,12-15H2,1-9H3/b11-10-
InChIKeyLBGZKMXWFYBFDE-KHPPLWFESA-N
MW297.53 g/mol
LogP4.78
Rot. Bonds8

About 2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol

2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol (PubChem CID 146601894) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol
PubChem CID146601894
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol
SMILESCC(C)(C)CC(C)(C)/C=C\C(C)(C)CC(C)(C)NCCO
InChIInChI=1S/C19H39NO/c1-16(2,3)14-17(4,5)10-11-18(6,7)15-19(8,9)20-12-13-21/h10-11,20-21H,12-15H2,1-9H3/b11-10-
InChIKeyLBGZKMXWFYBFDE-KHPPLWFESA-N
XLogP4.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol?
The IUPAC name of 2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol (CID 146601894) is 2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol?
The canonical SMILES for 2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol is CC(C)(C)CC(C)(C)/C=C\C(C)(C)CC(C)(C)NCCO.
What is the InChIKey of 2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol?
The InChIKey is LBGZKMXWFYBFDE-KHPPLWFESA-N. The full InChI is InChI=1S/C19H39NO/c1-16(2,3)14-17(4,5)10-11-18(6,7)15-19(8,9)20-12-13-21/h10-11,20-21H,12-15H2,1-9H3/b11-10-.
What are the key properties of 2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol?
2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol has a molecular weight of 297.53 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol is sourced from PubChem (CID 146601894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).