(3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol

C14H31NO — CID 118887513

IUPAC(3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol
SMILESCN(C)CCCC[C@H](CCO)CC(C)(C)C
InChIInChI=1S/C14H31NO/c1-14(2,3)12-13(9-11-16)8-6-7-10-15(4)5/h13,16H,6-12H2,1-5H3/t13-/m1/s1
InChIKeyYGBSPNGJKRSSLZ-CYBMUJFWSA-N
MW229.41 g/mol
LogP3.15
Rot. Bonds8

About (3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol

(3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol (PubChem CID 118887513) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is (3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol.

Molecular Properties

Compound Name(3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol
PubChem CID118887513
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name(3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol
SMILESCN(C)CCCC[C@H](CCO)CC(C)(C)C
InChIInChI=1S/C14H31NO/c1-14(2,3)12-13(9-11-16)8-6-7-10-15(4)5/h13,16H,6-12H2,1-5H3/t13-/m1/s1
InChIKeyYGBSPNGJKRSSLZ-CYBMUJFWSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.15
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

(3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol
CID 118887514
(3R)-3-(2,2-dimethylpropyl)octan-1-ol
CID 118887517
2-(2,2-dimethylpropyl)butane-1,4-diol
CID 140997808
(3S)-3-(2,2-dimethylpropyl)-8-(4-methylpiperazin-1-yl)octan-1-ol
CID 118887623
methyl (5S)-5-(2-hydroxyethyl)-7,7-dimethyloctanoate
CID 118887519
(3S)-3-(2,2-dimethylpropyl)-8-(4-ethylpiperazin-1-yl)octan-1-ol
CID 118887619
(4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine
CID 118887657
4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 58251491
7-(diethylamino)-3-ethylheptan-1-ol
CID 144711867
20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride
CID 172995497
6-[2-(dimethylamino)ethyl]-11-hydroxy-8-(3-hydroxypropyl)undecanenitrile
CID 173201609
3-(dimethylamino)propan-1-ol;ethane
CID 142056104

Frequently Asked Questions

What is the IUPAC name of (3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol?
The IUPAC name of (3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol (CID 118887513) is (3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol.
What is the SMILES notation for (3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol?
The canonical SMILES for (3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol is CN(C)CCCC[C@H](CCO)CC(C)(C)C.
What is the InChIKey of (3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol?
The InChIKey is YGBSPNGJKRSSLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H31NO/c1-14(2,3)12-13(9-11-16)8-6-7-10-15(4)5/h13,16H,6-12H2,1-5H3/t13-/m1/s1.
What are the key properties of (3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol?
(3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol is sourced from PubChem (CID 118887513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).