4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine

C29H60N2 — CID 146243904

IUPAC4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine
SMILESC=C(NC)C(C)C(CC)C(C)CCCC(C)CC(C)C(C(C)CC)N(C)CCC(C)C
InChIInChI=1S/C29H60N2/c1-13-23(6)29(31(12)19-18-21(3)4)25(8)20-22(5)16-15-17-24(7)28(14-2)26(9)27(10)30-11/h21-26,28-30H,10,13-20H2,1-9,11-12H3
InChIKeyXTJFYYPWIYXEQI-UHFFFAOYSA-N
MW436.81 g/mol
LogP8.24
Rot. Bonds18

About 4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine

4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine (PubChem CID 146243904) has the molecular formula C29H60N2 and a molecular weight of 436.81 g/mol. Its IUPAC name is 4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine.

Molecular Properties

Compound Name4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine
PubChem CID146243904
Molecular FormulaC29H60N2
Molecular Weight436.81 g/mol
Exact Mass436.48
IUPAC Name4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine
SMILESC=C(NC)C(C)C(CC)C(C)CCCC(C)CC(C)C(C(C)CC)N(C)CCC(C)C
InChIInChI=1S/C29H60N2/c1-13-23(6)29(31(12)19-18-21(3)4)25(8)20-22(5)16-15-17-24(7)28(14-2)26(9)27(10)30-11/h21-26,28-30H,10,13-20H2,1-9,11-12H3
InChIKeyXTJFYYPWIYXEQI-UHFFFAOYSA-N
XLogP8.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.81
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine?
The IUPAC name of 4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine (CID 146243904) is 4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine.
What is the SMILES notation for 4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine?
The canonical SMILES for 4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine is C=C(NC)C(C)C(CC)C(C)CCCC(C)CC(C)C(C(C)CC)N(C)CCC(C)C.
What is the InChIKey of 4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine?
The InChIKey is XTJFYYPWIYXEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60N2/c1-13-23(6)29(31(12)19-18-21(3)4)25(8)20-22(5)16-15-17-24(7)28(14-2)26(9)27(10)30-11/h21-26,28-30H,10,13-20H2,1-9,11-12H3.
What are the key properties of 4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine?
4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine has a molecular weight of 436.81 g/mol, XLogP of 8.24, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N,12-N,3,5,9,11,13-heptamethyl-12-N-(3-methylbutyl)pentadec-1-ene-2,12-diamine is sourced from PubChem (CID 146243904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).