3-(2-aminopropan-2-yl)nonan-2-ol

C12H27NO — CID 87504447

IUPAC3-(2-aminopropan-2-yl)nonan-2-ol
SMILESCCCCCCC(C(C)O)C(C)(C)N
InChIInChI=1S/C12H27NO/c1-5-6-7-8-9-11(10(2)14)12(3,4)13/h10-11,14H,5-9,13H2,1-4H3
InChIKeyMSCUOGZATWAWAB-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.69
Rot. Bonds7

About 3-(2-aminopropan-2-yl)nonan-2-ol

3-(2-aminopropan-2-yl)nonan-2-ol (PubChem CID 87504447) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)nonan-2-ol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)nonan-2-ol
PubChem CID87504447
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-(2-aminopropan-2-yl)nonan-2-ol
SMILESCCCCCCC(C(C)O)C(C)(C)N
InChIInChI=1S/C12H27NO/c1-5-6-7-8-9-11(10(2)14)12(3,4)13/h10-11,14H,5-9,13H2,1-4H3
InChIKeyMSCUOGZATWAWAB-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

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride
CID 175072736
2,3-dimethylhexadecan-2-amine
CID 87479269
4-(2-aminopropan-2-yl)icosan-2-ol
CID 87495669
5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one
CID 21279920
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
3-hexyl-2-methylundecan-2-amine
CID 89005835
2-amino-3-methylheptadecan-2-ol
CID 88695872
4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride
CID 173139694
3-methylheptadecane-2,2-diamine
CID 141040528
2-methyldecane-2,3-diamine
CID 87934186
3-aminoicosan-2-ol
CID 19964089
4-(2-aminopropan-2-yl)-1-chloroicosan-2-ol;hydrobromide
CID 173086474

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)nonan-2-ol?
The IUPAC name of 3-(2-aminopropan-2-yl)nonan-2-ol (CID 87504447) is 3-(2-aminopropan-2-yl)nonan-2-ol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)nonan-2-ol?
The canonical SMILES for 3-(2-aminopropan-2-yl)nonan-2-ol is CCCCCCC(C(C)O)C(C)(C)N.
What is the InChIKey of 3-(2-aminopropan-2-yl)nonan-2-ol?
The InChIKey is MSCUOGZATWAWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-6-7-8-9-11(10(2)14)12(3,4)13/h10-11,14H,5-9,13H2,1-4H3.
What are the key properties of 3-(2-aminopropan-2-yl)nonan-2-ol?
3-(2-aminopropan-2-yl)nonan-2-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)nonan-2-ol is sourced from PubChem (CID 87504447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).