(2S)-7-(diethylamino)-2-propylheptan-1-ol

C14H31NO — CID 118889803

IUPAC(2S)-7-(diethylamino)-2-propylheptan-1-ol
SMILESCCC[C@H](CO)CCCCCN(CC)CC
InChIInChI=1S/C14H31NO/c1-4-10-14(13-16)11-8-7-9-12-15(5-2)6-3/h14,16H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyLFGYCPBIXSXVCU-AWEZNQCLSA-N
MW229.41 g/mol
LogP3.30
Rot. Bonds11

About (2S)-7-(diethylamino)-2-propylheptan-1-ol

(2S)-7-(diethylamino)-2-propylheptan-1-ol (PubChem CID 118889803) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is (2S)-7-(diethylamino)-2-propylheptan-1-ol.

Molecular Properties

Compound Name(2S)-7-(diethylamino)-2-propylheptan-1-ol
PubChem CID118889803
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name(2S)-7-(diethylamino)-2-propylheptan-1-ol
SMILESCCC[C@H](CO)CCCCCN(CC)CC
InChIInChI=1S/C14H31NO/c1-4-10-14(13-16)11-8-7-9-12-15(5-2)6-3/h14,16H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyLFGYCPBIXSXVCU-AWEZNQCLSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-7-(diethylamino)-2-(3,3-dimethylbutyl)heptan-1-ol
CID 118887579
(2S)-2-propyldecan-1-ol
CID 10176571
2-propylheptadecan-1-ol
CID 137441509
2-propyldodecan-1-ol
CID 14438908
(2S)-2-propylheptane-1,7-diol
CID 118890038
7-(diethylamino)-3-ethylheptan-1-ol
CID 144711867
3-[3-(diethylamino)propyl]pentadecan-1-ol
CID 118181955
N-ethyl-N-heptadecyl-9-octylheptadecan-1-amine
CID 168924760
11-[bis(2-hydroxypropyl)amino]-2-octylundecan-1-ol
CID 173431296
11-[bis(2-hydroxyprop-2-enyl)amino]-2-octylundecan-1-ol
CID 173423915
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467

Frequently Asked Questions

What is the IUPAC name of (2S)-7-(diethylamino)-2-propylheptan-1-ol?
The IUPAC name of (2S)-7-(diethylamino)-2-propylheptan-1-ol (CID 118889803) is (2S)-7-(diethylamino)-2-propylheptan-1-ol.
What is the SMILES notation for (2S)-7-(diethylamino)-2-propylheptan-1-ol?
The canonical SMILES for (2S)-7-(diethylamino)-2-propylheptan-1-ol is CCC[C@H](CO)CCCCCN(CC)CC.
What is the InChIKey of (2S)-7-(diethylamino)-2-propylheptan-1-ol?
The InChIKey is LFGYCPBIXSXVCU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-10-14(13-16)11-8-7-9-12-15(5-2)6-3/h14,16H,4-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-7-(diethylamino)-2-propylheptan-1-ol?
(2S)-7-(diethylamino)-2-propylheptan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-(diethylamino)-2-propylheptan-1-ol is sourced from PubChem (CID 118889803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).