10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate

C30H60N2O4 — CID 163790724

IUPAC10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate
SMILESCCCC(CC(C)(C)NCC)OC(=O)CCCCCCCCC(=O)OC(CC(C)(C)C)CC(C)(C)N
InChIInChI=1S/C30H60N2O4/c1-10-18-24(23-30(8,9)32-11-2)35-26(33)19-16-14-12-13-15-17-20-27(34)36-25(21-28(3,4)5)22-29(6,7)31/h24-25,32H,10-23,31H2,1-9H3
InChIKeyMWMBZADOGRGJDP-UHFFFAOYSA-N
MW512.82 g/mol
LogP7.07
Rot. Bonds20

About 10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate

10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate (PubChem CID 163790724) has the molecular formula C30H60N2O4 and a molecular weight of 512.82 g/mol. Its IUPAC name is 10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate.

Molecular Properties

Compound Name10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate
PubChem CID163790724
Molecular FormulaC30H60N2O4
Molecular Weight512.82 g/mol
Exact Mass512.46
IUPAC Name10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate
SMILESCCCC(CC(C)(C)NCC)OC(=O)CCCCCCCCC(=O)OC(CC(C)(C)C)CC(C)(C)N
InChIInChI=1S/C30H60N2O4/c1-10-18-24(23-30(8,9)32-11-2)35-26(33)19-16-14-12-13-15-17-20-27(34)36-25(21-28(3,4)5)22-29(6,7)31/h24-25,32H,10-23,31H2,1-9H3
InChIKeyMWMBZADOGRGJDP-UHFFFAOYSA-N
XLogP7.07
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.82
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dioctan-4-yl decanedioate
CID 89406892
octan-4-yl octadecanoate
CID 57168711
8-O-tert-butyl 1-O-decan-4-yl octanedioate
CID 170657128
hexan-3-yl 6-bromohexanoate
CID 175414714
(9,9-dimethyl-18-oxononadecan-7-yl) octadecanoate
CID 129089989
3-dodecanoyloxyhexanoic acid
CID 171117373
3-heptadecanoyloxyhexanoic acid
CID 171117383
icosan-10-yl decanoate
CID 152733830
heptadecan-9-yl hexanoate
CID 163299458
octacosan-10-yl octadecanoate
CID 158256200
icosan-8-yl dodecanoate
CID 175390267
undecan-6-yl octadecanoate
CID 164901581

Frequently Asked Questions

What is the IUPAC name of 10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate?
The IUPAC name of 10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate (CID 163790724) is 10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate.
What is the SMILES notation for 10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate?
The canonical SMILES for 10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate is CCCC(CC(C)(C)NCC)OC(=O)CCCCCCCCC(=O)OC(CC(C)(C)C)CC(C)(C)N.
What is the InChIKey of 10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate?
The InChIKey is MWMBZADOGRGJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2O4/c1-10-18-24(23-30(8,9)32-11-2)35-26(33)19-16-14-12-13-15-17-20-27(34)36-25(21-28(3,4)5)22-29(6,7)31/h24-25,32H,10-23,31H2,1-9H3.
What are the key properties of 10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate?
10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate has a molecular weight of 512.82 g/mol, XLogP of 7.07, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-(2-amino-2,6,6-trimethylheptan-4-yl) 1-O-[2-(ethylamino)-2-methylheptan-4-yl] decanedioate is sourced from PubChem (CID 163790724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).