1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol

C19H43N3O — CID 58527553

IUPAC1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol
SMILESCCCCCCCCCCC(C)C(O)CNCCN(C)CCN
InChIInChI=1S/C19H43N3O/c1-4-5-6-7-8-9-10-11-12-18(2)19(23)17-21-14-16-22(3)15-13-20/h18-19,21,23H,4-17,20H2,1-3H3
InChIKeyFFDHOXXYUUWJHX-UHFFFAOYSA-N
MW329.57 g/mol
LogP2.99
Rot. Bonds17

About 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol

1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol (PubChem CID 58527553) has the molecular formula C19H43N3O and a molecular weight of 329.57 g/mol. Its IUPAC name is 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol.

Molecular Properties

Compound Name1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol
PubChem CID58527553
Molecular FormulaC19H43N3O
Molecular Weight329.57 g/mol
Exact Mass329.34
IUPAC Name1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol
SMILESCCCCCCCCCCC(C)C(O)CNCCN(C)CCN
InChIInChI=1S/C19H43N3O/c1-4-5-6-7-8-9-10-11-12-18(2)19(23)17-21-14-16-22(3)15-13-20/h18-19,21,23H,4-17,20H2,1-3H3
InChIKeyFFDHOXXYUUWJHX-UHFFFAOYSA-N
XLogP2.99
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol?
The IUPAC name of 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol (CID 58527553) is 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol.
What is the SMILES notation for 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol?
The canonical SMILES for 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol is CCCCCCCCCCC(C)C(O)CNCCN(C)CCN.
What is the InChIKey of 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol?
The InChIKey is FFDHOXXYUUWJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3O/c1-4-5-6-7-8-9-10-11-12-18(2)19(23)17-21-14-16-22(3)15-13-20/h18-19,21,23H,4-17,20H2,1-3H3.
What are the key properties of 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol?
1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol has a molecular weight of 329.57 g/mol, XLogP of 2.99, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-methyltridecan-2-ol is sourced from PubChem (CID 58527553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).