2-(3-methylheptylamino)ethanol

C10H23NO — CID 87944554

IUPAC2-(3-methylheptylamino)ethanol
SMILESCCCCC(C)CCNCCO
InChIInChI=1S/C10H23NO/c1-3-4-5-10(2)6-7-11-8-9-12/h10-12H,3-9H2,1-2H3
InChIKeyKTHYGPCPOYMDDU-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds8

About 2-(3-methylheptylamino)ethanol

2-(3-methylheptylamino)ethanol (PubChem CID 87944554) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-(3-methylheptylamino)ethanol.

Molecular Properties

Compound Name2-(3-methylheptylamino)ethanol
PubChem CID87944554
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-(3-methylheptylamino)ethanol
SMILESCCCCC(C)CCNCCO
InChIInChI=1S/C10H23NO/c1-3-4-5-10(2)6-7-11-8-9-12/h10-12H,3-9H2,1-2H3
InChIKeyKTHYGPCPOYMDDU-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
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

5-methyl-N-propylnonan-1-amine
CID 123719528
4-methyloctan-1-ol;propan-2-ol
CID 18620283
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol
CID 122598675
3-methyl-N-(2-methylpropyl)octan-1-amine
CID 81019689
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
2-[2-(hexadecan-2-ylamino)ethylamino]ethanol
CID 102117969
(2S,4S)-2,4-dimethyl-6-(octylamino)hexan-1-ol
CID 174260797
2-(2-aminohexylamino)ethanol
CID 83960481
2-methylhexan-1-ol
CID 159157237
10-methylhexadecan-1-ol
CID 10244159

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylheptylamino)ethanol?
The IUPAC name of 2-(3-methylheptylamino)ethanol (CID 87944554) is 2-(3-methylheptylamino)ethanol.
What is the SMILES notation for 2-(3-methylheptylamino)ethanol?
The canonical SMILES for 2-(3-methylheptylamino)ethanol is CCCCC(C)CCNCCO.
What is the InChIKey of 2-(3-methylheptylamino)ethanol?
The InChIKey is KTHYGPCPOYMDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-3-4-5-10(2)6-7-11-8-9-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-(3-methylheptylamino)ethanol?
2-(3-methylheptylamino)ethanol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylheptylamino)ethanol is sourced from PubChem (CID 87944554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).