2-methylpropane-1,2-diamine;tetradecanoic acid

C18H40N2O2 — CID 172833442

IUPAC2-methylpropane-1,2-diamine;tetradecanoic acid
SMILESCC(C)(N)CN.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C4H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4(2,6)3-5/h2-13H2,1H3,(H,15,16);3,5-6H2,1-2H3
InChIKeyVVBPSQCIKJAZGZ-UHFFFAOYSA-N
MW316.53 g/mol
LogP4.45
Rot. Bonds13

About 2-methylpropane-1,2-diamine;tetradecanoic acid

2-methylpropane-1,2-diamine;tetradecanoic acid (PubChem CID 172833442) has the molecular formula C18H40N2O2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 2-methylpropane-1,2-diamine;tetradecanoic acid.

Molecular Properties

Compound Name2-methylpropane-1,2-diamine;tetradecanoic acid
PubChem CID172833442
Molecular FormulaC18H40N2O2
Molecular Weight316.53 g/mol
Exact Mass316.31
IUPAC Name2-methylpropane-1,2-diamine;tetradecanoic acid
SMILESCC(C)(N)CN.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C4H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4(2,6)3-5/h2-13H2,1H3,(H,15,16);3,5-6H2,1-2H3
InChIKeyVVBPSQCIKJAZGZ-UHFFFAOYSA-N
XLogP4.45
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 54.45
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

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1,2-diamine;tetradecanoic acid?
The IUPAC name of 2-methylpropane-1,2-diamine;tetradecanoic acid (CID 172833442) is 2-methylpropane-1,2-diamine;tetradecanoic acid.
What is the SMILES notation for 2-methylpropane-1,2-diamine;tetradecanoic acid?
The canonical SMILES for 2-methylpropane-1,2-diamine;tetradecanoic acid is CC(C)(N)CN.CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 2-methylpropane-1,2-diamine;tetradecanoic acid?
The InChIKey is VVBPSQCIKJAZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C4H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4(2,6)3-5/h2-13H2,1H3,(H,15,16);3,5-6H2,1-2H3.
What are the key properties of 2-methylpropane-1,2-diamine;tetradecanoic acid?
2-methylpropane-1,2-diamine;tetradecanoic acid has a molecular weight of 316.53 g/mol, XLogP of 4.45, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1,2-diamine;tetradecanoic acid is sourced from PubChem (CID 172833442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).