5-amino-4,4-dimethylheptan-2-ol;ethane

C11H27NO — CID 170613852

IUPAC5-amino-4,4-dimethylheptan-2-ol;ethane
SMILESCC.CCC(N)C(C)(C)CC(C)O
InChIInChI=1S/C9H21NO.C2H6/c1-5-8(10)9(3,4)6-7(2)11;1-2/h7-8,11H,5-6,10H2,1-4H3;1-2H3
InChIKeyQYVUOZRAUFSZRJ-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.55
Rot. Bonds4

About 5-amino-4,4-dimethylheptan-2-ol;ethane

5-amino-4,4-dimethylheptan-2-ol;ethane (PubChem CID 170613852) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is 5-amino-4,4-dimethylheptan-2-ol;ethane.

Molecular Properties

Compound Name5-amino-4,4-dimethylheptan-2-ol;ethane
PubChem CID170613852
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Name5-amino-4,4-dimethylheptan-2-ol;ethane
SMILESCC.CCC(N)C(C)(C)CC(C)O
InChIInChI=1S/C9H21NO.C2H6/c1-5-8(10)9(3,4)6-7(2)11;1-2/h7-8,11H,5-6,10H2,1-4H3;1-2H3
InChIKeyQYVUOZRAUFSZRJ-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-5-amino-4,4-dimethylhexan-2-ol
CID 97033653
4,4,5,6-tetramethyloctan-2-ol
CID 156689477
(2S)-4,4,5-trimethylhexan-2-ol
CID 164734993
3,3-dimethylhexane-1,4-diamine
CID 116934427
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
4-amino-3,3-dimethylhexane-1-thiol
CID 166458300
2-ethyl-2-methylpentane-1,4-diol
CID 57298661
4,4,6-trimethyloctan-2-ol
CID 64717881
1-N,2,2-trimethylpentane-1,3-diamine
CID 162525964
2-methylpentane-2,4-diol
CID 7870
4-methylheptane-2,4,6-triol
CID 90439710
4-amino-4-(1-hydroxyethyl)heptane-2,5-diol
CID 87770999

Frequently Asked Questions

What is the IUPAC name of 5-amino-4,4-dimethylheptan-2-ol;ethane?
The IUPAC name of 5-amino-4,4-dimethylheptan-2-ol;ethane (CID 170613852) is 5-amino-4,4-dimethylheptan-2-ol;ethane.
What is the SMILES notation for 5-amino-4,4-dimethylheptan-2-ol;ethane?
The canonical SMILES for 5-amino-4,4-dimethylheptan-2-ol;ethane is CC.CCC(N)C(C)(C)CC(C)O.
What is the InChIKey of 5-amino-4,4-dimethylheptan-2-ol;ethane?
The InChIKey is QYVUOZRAUFSZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.C2H6/c1-5-8(10)9(3,4)6-7(2)11;1-2/h7-8,11H,5-6,10H2,1-4H3;1-2H3.
What are the key properties of 5-amino-4,4-dimethylheptan-2-ol;ethane?
5-amino-4,4-dimethylheptan-2-ol;ethane has a molecular weight of 189.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,4-dimethylheptan-2-ol;ethane is sourced from PubChem (CID 170613852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).