3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol

C17H35NO — CID 135213216

IUPAC3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol
SMILESC=C(NC(C)(CC)CCO)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C17H35NO/c1-9-15(4,5)13-16(6,7)14(3)18-17(8,10-2)11-12-19/h18-19H,3,9-13H2,1-2,4-8H3
InChIKeyDFFQOLKGQMFVPY-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.49
Rot. Bonds9

About 3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol

3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol (PubChem CID 135213216) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol
PubChem CID135213216
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol
SMILESC=C(NC(C)(CC)CCO)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C17H35NO/c1-9-15(4,5)13-16(6,7)14(3)18-17(8,10-2)11-12-19/h18-19H,3,9-13H2,1-2,4-8H3
InChIKeyDFFQOLKGQMFVPY-UHFFFAOYSA-N
XLogP4.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol (CID 135213216) is 3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol is C=C(NC(C)(CC)CCO)C(C)(C)CC(C)(C)CC.
What is the InChIKey of 3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol?
The InChIKey is DFFQOLKGQMFVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-9-15(4,5)13-16(6,7)14(3)18-17(8,10-2)11-12-19/h18-19H,3,9-13H2,1-2,4-8H3.
What are the key properties of 3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol?
3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3,3,5,5-tetramethylhept-1-en-2-ylamino)pentan-1-ol is sourced from PubChem (CID 135213216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).