1-[di(propan-2-yl)amino]dec-9-en-2-ol

C16H33NO — CID 22975447

IUPAC1-[di(propan-2-yl)amino]dec-9-en-2-ol
SMILESC=CCCCCCCC(O)CN(C(C)C)C(C)C
InChIInChI=1S/C16H33NO/c1-6-7-8-9-10-11-12-16(18)13-17(14(2)3)15(4)5/h6,14-16,18H,1,7-13H2,2-5H3
InChIKeyLXXXJLVPXNBFFW-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.99
Rot. Bonds11

About 1-[di(propan-2-yl)amino]dec-9-en-2-ol

1-[di(propan-2-yl)amino]dec-9-en-2-ol (PubChem CID 22975447) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]dec-9-en-2-ol.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]dec-9-en-2-ol
PubChem CID22975447
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-[di(propan-2-yl)amino]dec-9-en-2-ol
SMILESC=CCCCCCCC(O)CN(C(C)C)C(C)C
InChIInChI=1S/C16H33NO/c1-6-7-8-9-10-11-12-16(18)13-17(14(2)3)15(4)5/h6,14-16,18H,1,7-13H2,2-5H3
InChIKeyLXXXJLVPXNBFFW-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol
CID 162644673
SK3 Channel-IN-1
CID 162663884
(Z,2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol
CID 162672857
(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol
CID 162645797
(2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]henicosan-2-ol
CID 162648428
(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]henicosan-2-ol
CID 162677238
(E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol
CID 59827431
(1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol;(1R,4E,8E,12S)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol
CID 5384600
(1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol
CID 5384601
(1R,4E,8E,12S)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol
CID 5384602
(1S,4Z,8S)-8-(dimethylamino)cyclooct-4-en-1-ol
CID 101606919
1-[Di(propan-2-yl)amino]hex-5-en-2-ol
CID 22975448

Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yl)amino]dec-9-en-2-ol?
The IUPAC name of 1-[di(propan-2-yl)amino]dec-9-en-2-ol (CID 22975447) is 1-[di(propan-2-yl)amino]dec-9-en-2-ol.
What is the SMILES notation for 1-[di(propan-2-yl)amino]dec-9-en-2-ol?
The canonical SMILES for 1-[di(propan-2-yl)amino]dec-9-en-2-ol is C=CCCCCCCC(O)CN(C(C)C)C(C)C.
What is the InChIKey of 1-[di(propan-2-yl)amino]dec-9-en-2-ol?
The InChIKey is LXXXJLVPXNBFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-7-8-9-10-11-12-16(18)13-17(14(2)3)15(4)5/h6,14-16,18H,1,7-13H2,2-5H3.
What are the key properties of 1-[di(propan-2-yl)amino]dec-9-en-2-ol?
1-[di(propan-2-yl)amino]dec-9-en-2-ol has a molecular weight of 255.45 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]dec-9-en-2-ol is sourced from PubChem (CID 22975447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).