(E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol

C20H41NO — CID 174240836

IUPAC(E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol
SMILESC/C(=C\C(N)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H41NO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18,20,22H,6-14,21H2,1-5H3/b19-15+/t17-,18-,20?/m1/s1
InChIKeyJCHFNGCDUOWHBI-WFGLNJCISA-N
MW311.55 g/mol
LogP5.65
Rot. Bonds13

About (E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol

(E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol (PubChem CID 174240836) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is (E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol.

Molecular Properties

Compound Name(E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol
PubChem CID174240836
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name(E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol
SMILESC/C(=C\C(N)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H41NO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18,20,22H,6-14,21H2,1-5H3/b19-15+/t17-,18-,20?/m1/s1
InChIKeyJCHFNGCDUOWHBI-WFGLNJCISA-N
XLogP5.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol
CID 174796441
(E)-2,6,10-trimethylundec-1-ene-1-thiol
CID 25254254
(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol
CID 25254401
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
CID 160640482
CID 160640482
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium
CID 59410843

Frequently Asked Questions

What is the IUPAC name of (E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol?
The IUPAC name of (E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol (CID 174240836) is (E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol.
What is the SMILES notation for (E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol?
The canonical SMILES for (E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol is C/C(=C\C(N)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol?
The InChIKey is JCHFNGCDUOWHBI-WFGLNJCISA-N. The full InChI is InChI=1S/C20H41NO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18,20,22H,6-14,21H2,1-5H3/b19-15+/t17-,18-,20?/m1/s1.
What are the key properties of (E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol?
(E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol has a molecular weight of 311.55 g/mol, XLogP of 5.65, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol is sourced from PubChem (CID 174240836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).