2-(6-methylheptylamino)ethane-1,1-diol

C10H23NO2 — CID 175199502

IUPAC2-(6-methylheptylamino)ethane-1,1-diol
SMILESCC(C)CCCCCNCC(O)O
InChIInChI=1S/C10H23NO2/c1-9(2)6-4-3-5-7-11-8-10(12)13/h9-13H,3-8H2,1-2H3
InChIKeyKCSXQYIULOTVNA-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.10
Rot. Bonds8

About 2-(6-methylheptylamino)ethane-1,1-diol

2-(6-methylheptylamino)ethane-1,1-diol (PubChem CID 175199502) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(6-methylheptylamino)ethane-1,1-diol.

Molecular Properties

Compound Name2-(6-methylheptylamino)ethane-1,1-diol
PubChem CID175199502
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-(6-methylheptylamino)ethane-1,1-diol
SMILESCC(C)CCCCCNCC(O)O
InChIInChI=1S/C10H23NO2/c1-9(2)6-4-3-5-7-11-8-10(12)13/h9-13H,3-8H2,1-2H3
InChIKeyKCSXQYIULOTVNA-UHFFFAOYSA-N
XLogP1.10
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(7-methyloctylamino)propane-1,2-diol
CID 107815051
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
1-amino-3-(5-methylhexylamino)propan-2-ol
CID 176836498
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
2-(octadecylamino)ethane-1,1-diol;hydrate
CID 173098579
2-(6-methylheptylamino)ethanol
CID 23342125
2-(heptadecylamino)ethane-1,1-diol;hydrobromide
CID 175162321
6-(7-methyloctylamino)hexan-1-ol
CID 107814970
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptylamino)ethane-1,1-diol?
The IUPAC name of 2-(6-methylheptylamino)ethane-1,1-diol (CID 175199502) is 2-(6-methylheptylamino)ethane-1,1-diol.
What is the SMILES notation for 2-(6-methylheptylamino)ethane-1,1-diol?
The canonical SMILES for 2-(6-methylheptylamino)ethane-1,1-diol is CC(C)CCCCCNCC(O)O.
What is the InChIKey of 2-(6-methylheptylamino)ethane-1,1-diol?
The InChIKey is KCSXQYIULOTVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(2)6-4-3-5-7-11-8-10(12)13/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-(6-methylheptylamino)ethane-1,1-diol?
2-(6-methylheptylamino)ethane-1,1-diol has a molecular weight of 189.30 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptylamino)ethane-1,1-diol is sourced from PubChem (CID 175199502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).