5-amino-4-ethyl-5-methylhexan-1-ol

C9H21NO — CID 19774835

IUPAC5-amino-4-ethyl-5-methylhexan-1-ol
SMILESCCC(CCCO)C(C)(C)N
InChIInChI=1S/C9H21NO/c1-4-8(6-5-7-11)9(2,3)10/h8,11H,4-7,10H2,1-3H3
InChIKeyCXPNUKPGIXYBBD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds5

About 5-amino-4-ethyl-5-methylhexan-1-ol

5-amino-4-ethyl-5-methylhexan-1-ol (PubChem CID 19774835) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 5-amino-4-ethyl-5-methylhexan-1-ol.

Molecular Properties

Compound Name5-amino-4-ethyl-5-methylhexan-1-ol
PubChem CID19774835
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name5-amino-4-ethyl-5-methylhexan-1-ol
SMILESCCC(CCCO)C(C)(C)N
InChIInChI=1S/C9H21NO/c1-4-8(6-5-7-11)9(2,3)10/h8,11H,4-7,10H2,1-3H3
InChIKeyCXPNUKPGIXYBBD-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Amino-3,3,5-trimethylhexan-1-ol
CID 23559315
5-Amino-5-(4-hydroxybutyl)nonane-1,9-diol
CID 54012948
3-Amino-2,3-diethylpentan-1-ol
CID 54537544
5-Amino-3-(aminomethyl)-5-methylhexan-1-ol
CID 57011911
2-Amino-2-propan-2-ylpentane-1,5-diol
CID 59456900
2-Amino-2,5-dimethylhexan-1-ol
CID 61054619
4-(1-Aminocyclopropyl)hexan-1-ol
CID 67198020
(2-Amino-2-methylcyclobutyl)methanol
CID 76223627
5-Amino-5-methylhexan-1-ol
CID 82229614
3-Amino-3-methylheptane-1,7-diol
CID 90760141
2-Amino-2-methylhexane-1,6-diol
CID 90896070
4-Amino-4-methyloctane-1,8-diol
CID 90970832

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-ethyl-5-methylhexan-1-ol?
The IUPAC name of 5-amino-4-ethyl-5-methylhexan-1-ol (CID 19774835) is 5-amino-4-ethyl-5-methylhexan-1-ol.
What is the SMILES notation for 5-amino-4-ethyl-5-methylhexan-1-ol?
The canonical SMILES for 5-amino-4-ethyl-5-methylhexan-1-ol is CCC(CCCO)C(C)(C)N.
What is the InChIKey of 5-amino-4-ethyl-5-methylhexan-1-ol?
The InChIKey is CXPNUKPGIXYBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-8(6-5-7-11)9(2,3)10/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 5-amino-4-ethyl-5-methylhexan-1-ol?
5-amino-4-ethyl-5-methylhexan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-ethyl-5-methylhexan-1-ol is sourced from PubChem (CID 19774835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).