N-butylbutan-1-amine;decanedioic acid

C18H37NO4 — CID 159923840

IUPACN-butylbutan-1-amine;decanedioic acid
SMILESCCCCNCCCC.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C8H19N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-5-7-9-8-6-4-2/h1-8H2,(H,11,12)(H,13,14);9H,3-8H2,1-2H3
InChIKeyNYTIBVARRAEMTN-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.45
Rot. Bonds15

About N-butylbutan-1-amine;decanedioic acid

N-butylbutan-1-amine;decanedioic acid (PubChem CID 159923840) has the molecular formula C18H37NO4 and a molecular weight of 331.50 g/mol. Its IUPAC name is N-butylbutan-1-amine;decanedioic acid.

Molecular Properties

Compound NameN-butylbutan-1-amine;decanedioic acid
PubChem CID159923840
Molecular FormulaC18H37NO4
Molecular Weight331.50 g/mol
Exact Mass331.27
IUPAC NameN-butylbutan-1-amine;decanedioic acid
SMILESCCCCNCCCC.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C8H19N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-5-7-9-8-6-4-2/h1-8H2,(H,11,12)(H,13,14);9H,3-8H2,1-2H3
InChIKeyNYTIBVARRAEMTN-UHFFFAOYSA-N
XLogP4.45
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
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

N-butylbutan-1-amine;octanoic acid
CID 53326963
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
12-(pentylamino)dodecanoic acid
CID 57245176
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
5-(butylamino)pentanoic acid;silver
CID 174567660
13-(hexylamino)tridecanoic acid
CID 21488721
7-(nonylamino)heptanoic acid;hydrobromide
CID 71399860
5-(propylamino)pentanoic acid
CID 103691549
hexanedioic acid;N-propylpropan-1-amine
CID 88686443

Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;decanedioic acid?
The IUPAC name of N-butylbutan-1-amine;decanedioic acid (CID 159923840) is N-butylbutan-1-amine;decanedioic acid.
What is the SMILES notation for N-butylbutan-1-amine;decanedioic acid?
The canonical SMILES for N-butylbutan-1-amine;decanedioic acid is CCCCNCCCC.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of N-butylbutan-1-amine;decanedioic acid?
The InChIKey is NYTIBVARRAEMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C8H19N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-5-7-9-8-6-4-2/h1-8H2,(H,11,12)(H,13,14);9H,3-8H2,1-2H3.
What are the key properties of N-butylbutan-1-amine;decanedioic acid?
N-butylbutan-1-amine;decanedioic acid has a molecular weight of 331.50 g/mol, XLogP of 4.45, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;decanedioic acid is sourced from PubChem (CID 159923840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).