7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane

C21H49NO — CID 177218954

IUPAC7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane
SMILESCC.CC.CC(C)C(C)CCC(C)(N)CCCC(C)(O)C(C)C
InChIInChI=1S/C17H37NO.2C2H6/c1-13(2)15(5)9-12-16(6,18)10-8-11-17(7,19)14(3)4;2*1-2/h13-15,19H,8-12,18H2,1-7H3;2*1-2H3
InChIKeyPGDQVHUSQGTPRL-UHFFFAOYSA-N
MW331.63 g/mol
LogP6.41
Rot. Bonds9

About 7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane

7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane (PubChem CID 177218954) has the molecular formula C21H49NO and a molecular weight of 331.63 g/mol. Its IUPAC name is 7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane.

Molecular Properties

Compound Name7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane
PubChem CID177218954
Molecular FormulaC21H49NO
Molecular Weight331.63 g/mol
Exact Mass331.38
IUPAC Name7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane
SMILESCC.CC.CC(C)C(C)CCC(C)(N)CCCC(C)(O)C(C)C
InChIInChI=1S/C17H37NO.2C2H6/c1-13(2)15(5)9-12-16(6,18)10-8-11-17(7,19)14(3)4;2*1-2/h13-15,19H,8-12,18H2,1-7H3;2*1-2H3
InChIKeyPGDQVHUSQGTPRL-UHFFFAOYSA-N
XLogP6.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.63
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;2,3,6,6,9-pentamethyldecane
CID 156735822
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
2,2,6,7-tetramethyloctane-3,6-diol
CID 114496700
2,3-dimethyltridecan-3-ol
CID 14591139
2,3,6-trimethyloctan-3-ol
CID 122367206
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
2,2,3,4,4,7,8-heptamethylnonane
CID 123795211
3,6,9-trimethylundecan-6-amine
CID 90972549
3,6-dimethylheptan-3-amine;ethane
CID 156844908
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane?
The IUPAC name of 7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane (CID 177218954) is 7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane.
What is the SMILES notation for 7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane?
The canonical SMILES for 7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane is CC.CC.CC(C)C(C)CCC(C)(N)CCCC(C)(O)C(C)C.
What is the InChIKey of 7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane?
The InChIKey is PGDQVHUSQGTPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO.2C2H6/c1-13(2)15(5)9-12-16(6,18)10-8-11-17(7,19)14(3)4;2*1-2/h13-15,19H,8-12,18H2,1-7H3;2*1-2H3.
What are the key properties of 7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane?
7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane has a molecular weight of 331.63 g/mol, XLogP of 6.41, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,3,7,10,11-pentamethyldodecan-3-ol;ethane is sourced from PubChem (CID 177218954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).