3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol

C12H27NO — CID 66090744

IUPAC3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)(CCO)C(C)(C)N
InChIInChI=1S/C12H27NO/c1-5-7-8-12(6-2,9-10-14)11(3,4)13/h14H,5-10,13H2,1-4H3
InChIKeyBRVVVSCQIWUUBE-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.69
Rot. Bonds7

About 3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol

3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol (PubChem CID 66090744) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol
PubChem CID66090744
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)(CCO)C(C)(C)N
InChIInChI=1S/C12H27NO/c1-5-7-8-12(6-2,9-10-14)11(3,4)13/h14H,5-10,13H2,1-4H3
InChIKeyBRVVVSCQIWUUBE-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diethyl-2-methylheptadecan-2-amine
CID 139431028
3-aminoheptane-1,3-diol
CID 154296556
3-amino-3-methyloctan-1-ol
CID 80558733
(2R)-2-amino-2-methylhexan-1-ol
CID 55277892
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341
2,3-dimethylbutane-2,3-diamine;hexane
CID 88683031
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
3-ethylheptan-3-amine
CID 12708037
2-tert-butyl-2-methylhexanamide
CID 175947607
3-amino-3-hexadecylpentane-1,5-diol;hydrochloride
CID 173408839
3-amino-3-octadecylpentane-1,5-diol;hydrochloride
CID 173050553
3,3-dimethyloctan-1-ol
CID 18704344

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol?
The IUPAC name of 3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol (CID 66090744) is 3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol?
The canonical SMILES for 3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol is CCCCC(CC)(CCO)C(C)(C)N.
What is the InChIKey of 3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol?
The InChIKey is BRVVVSCQIWUUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-8-12(6-2,9-10-14)11(3,4)13/h14H,5-10,13H2,1-4H3.
What are the key properties of 3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol?
3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol is sourced from PubChem (CID 66090744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).