3-amino-5-ethyl-2-methylheptan-4-ol

C10H23NO — CID 115347574

IUPAC3-amino-5-ethyl-2-methylheptan-4-ol
SMILESCCC(CC)C(O)C(N)C(C)C
InChIInChI=1S/C10H23NO/c1-5-8(6-2)10(12)9(11)7(3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRSIGBPOOVIFMSS-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.77
Rot. Bonds5

About 3-amino-5-ethyl-2-methylheptan-4-ol

3-amino-5-ethyl-2-methylheptan-4-ol (PubChem CID 115347574) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-amino-5-ethyl-2-methylheptan-4-ol.

Molecular Properties

Compound Name3-amino-5-ethyl-2-methylheptan-4-ol
PubChem CID115347574
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-amino-5-ethyl-2-methylheptan-4-ol
SMILESCCC(CC)C(O)C(N)C(C)C
InChIInChI=1S/C10H23NO/c1-5-8(6-2)10(12)9(11)7(3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRSIGBPOOVIFMSS-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4-methylpentane-1,3-diamine
CID 116945412
(4R)-2,4-dimethylhexan-3-amine
CID 59252919
4-(methoxymethyl)-2-methylhexan-3-amine
CID 79298395
1-amino-3-ethylpentane-1,4-diol
CID 57220298
2,4-dimethylhexan-3-amine;ethane
CID 143534901
4-amino-2,5-dimethylhexan-3-ol;propane-1-sulfonic acid
CID 20545771
(3S,4R)-5-ethyl-4-hydroxy-3-methylheptan-2-one
CID 165348776
2,4-diethyl-3-hydroxyhexanenitrile
CID 79136880
3-aminohexane-2,4-diol
CID 144515569
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
(2R)-2-amino-4-methylhexan-3-ol
CID 164643928
4-fluoro-2-methylhexan-3-amine
CID 155312274

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethyl-2-methylheptan-4-ol?
The IUPAC name of 3-amino-5-ethyl-2-methylheptan-4-ol (CID 115347574) is 3-amino-5-ethyl-2-methylheptan-4-ol.
What is the SMILES notation for 3-amino-5-ethyl-2-methylheptan-4-ol?
The canonical SMILES for 3-amino-5-ethyl-2-methylheptan-4-ol is CCC(CC)C(O)C(N)C(C)C.
What is the InChIKey of 3-amino-5-ethyl-2-methylheptan-4-ol?
The InChIKey is RSIGBPOOVIFMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-8(6-2)10(12)9(11)7(3)4/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 3-amino-5-ethyl-2-methylheptan-4-ol?
3-amino-5-ethyl-2-methylheptan-4-ol has a molecular weight of 173.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethyl-2-methylheptan-4-ol is sourced from PubChem (CID 115347574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).