1-[di(propan-2-yl)amino]oct-7-en-2-ol

C14H29NO — CID 22975453

IUPAC1-[di(propan-2-yl)amino]oct-7-en-2-ol
SMILESC=CCCCCC(O)CN(C(C)C)C(C)C
InChIInChI=1S/C14H29NO/c1-6-7-8-9-10-14(16)11-15(12(2)3)13(4)5/h6,12-14,16H,1,7-11H2,2-5H3
InChIKeyUELBDCBHMIUZFD-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.21
Rot. Bonds9

About 1-[di(propan-2-yl)amino]oct-7-en-2-ol

1-[di(propan-2-yl)amino]oct-7-en-2-ol (PubChem CID 22975453) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]oct-7-en-2-ol.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]oct-7-en-2-ol
PubChem CID22975453
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[di(propan-2-yl)amino]oct-7-en-2-ol
SMILESC=CCCCCC(O)CN(C(C)C)C(C)C
InChIInChI=1S/C14H29NO/c1-6-7-8-9-10-14(16)11-15(12(2)3)13(4)5/h6,12-14,16H,1,7-11H2,2-5H3
InChIKeyUELBDCBHMIUZFD-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.21
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

(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]dec-9-en-2-ol
CID 22975447
1-[Di(propan-2-yl)amino]hex-5-en-2-ol
CID 22975448
1-(Dimethylamino)hex-5-en-2-ol
CID 79087203
(2-Hydroxy-3-prop-2-enylheptyl)-trimethylazanium
CID 87213392
1-(Dimethylamino)oct-7-en-3-ol
CID 115345967
Dec-9-enyl-(2-hydroxybutyl)-dimethylazanium
CID 118880530
4-(Dimethylamino)nona-7,8-dien-2-ol
CID 130178051
5-(Dimethylamino)hept-6-en-2-ol
CID 138732053
7-Bromo-2-(dimethylamino)hept-6-en-3-ol
CID 141901487

Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yl)amino]oct-7-en-2-ol?
The IUPAC name of 1-[di(propan-2-yl)amino]oct-7-en-2-ol (CID 22975453) is 1-[di(propan-2-yl)amino]oct-7-en-2-ol.
What is the SMILES notation for 1-[di(propan-2-yl)amino]oct-7-en-2-ol?
The canonical SMILES for 1-[di(propan-2-yl)amino]oct-7-en-2-ol is C=CCCCCC(O)CN(C(C)C)C(C)C.
What is the InChIKey of 1-[di(propan-2-yl)amino]oct-7-en-2-ol?
The InChIKey is UELBDCBHMIUZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-7-8-9-10-14(16)11-15(12(2)3)13(4)5/h6,12-14,16H,1,7-11H2,2-5H3.
What are the key properties of 1-[di(propan-2-yl)amino]oct-7-en-2-ol?
1-[di(propan-2-yl)amino]oct-7-en-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.21, 9 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]oct-7-en-2-ol is sourced from PubChem (CID 22975453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).