8-(2-aminoethylamino)-2-methyloctan-4-ol

C11H26N2O — CID 123612148

IUPAC8-(2-aminoethylamino)-2-methyloctan-4-ol
SMILESCC(C)CC(O)CCCCNCCN
InChIInChI=1S/C11H26N2O/c1-10(2)9-11(14)5-3-4-7-13-8-6-12/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyNBURPZCQFXEISJ-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.11
Rot. Bonds9

About 8-(2-aminoethylamino)-2-methyloctan-4-ol

8-(2-aminoethylamino)-2-methyloctan-4-ol (PubChem CID 123612148) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 8-(2-aminoethylamino)-2-methyloctan-4-ol.

Molecular Properties

Compound Name8-(2-aminoethylamino)-2-methyloctan-4-ol
PubChem CID123612148
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name8-(2-aminoethylamino)-2-methyloctan-4-ol
SMILESCC(C)CC(O)CCCCNCCN
InChIInChI=1S/C11H26N2O/c1-10(2)9-11(14)5-3-4-7-13-8-6-12/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyNBURPZCQFXEISJ-UHFFFAOYSA-N
XLogP1.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7R)-18-(heptadecylamino)octadecan-7-ol
CID 88529231
(4S)-2-methylnonan-4-ol
CID 86308805
1-amino-3-(5-methylhexylamino)propan-2-ol
CID 176836498
4-(2-aminoethylamino)butane-1,1-diol
CID 87239429
(4S)-6-methylheptane-1,4-diol
CID 88522325
N'-(3-aminopropyl)-4-methyloctane-1,8-diamine
CID 23599731
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041
1-(3-fluoropropylamino)-4-methylpentan-2-ol
CID 107152341
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
2,13-dimethylpentadecan-4-ol
CID 176880167

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethylamino)-2-methyloctan-4-ol?
The IUPAC name of 8-(2-aminoethylamino)-2-methyloctan-4-ol (CID 123612148) is 8-(2-aminoethylamino)-2-methyloctan-4-ol.
What is the SMILES notation for 8-(2-aminoethylamino)-2-methyloctan-4-ol?
The canonical SMILES for 8-(2-aminoethylamino)-2-methyloctan-4-ol is CC(C)CC(O)CCCCNCCN.
What is the InChIKey of 8-(2-aminoethylamino)-2-methyloctan-4-ol?
The InChIKey is NBURPZCQFXEISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2)9-11(14)5-3-4-7-13-8-6-12/h10-11,13-14H,3-9,12H2,1-2H3.
What are the key properties of 8-(2-aminoethylamino)-2-methyloctan-4-ol?
8-(2-aminoethylamino)-2-methyloctan-4-ol has a molecular weight of 202.34 g/mol, XLogP of 1.11, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethylamino)-2-methyloctan-4-ol is sourced from PubChem (CID 123612148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).