N-butyl-N'-propylbutanimidamide;carbonic acid

C12H26N2O3 — CID 175099903

IUPACN-butyl-N'-propylbutanimidamide;carbonic acid
SMILESCCCCN/C(CCC)=N/CCC.O=C(O)O
InChIInChI=1S/C11H24N2.CH2O3/c1-4-7-10-13-11(8-5-2)12-9-6-3;2-1(3)4/h4-10H2,1-3H3,(H,12,13);(H2,2,3,4)
InChIKeyNABGKEBHCDEFER-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.21
Rot. Bonds7

About N-butyl-N'-propylbutanimidamide;carbonic acid

N-butyl-N'-propylbutanimidamide;carbonic acid (PubChem CID 175099903) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-butyl-N'-propylbutanimidamide;carbonic acid.

Molecular Properties

Compound NameN-butyl-N'-propylbutanimidamide;carbonic acid
PubChem CID175099903
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-butyl-N'-propylbutanimidamide;carbonic acid
SMILESCCCCN/C(CCC)=N/CCC.O=C(O)O
InChIInChI=1S/C11H24N2.CH2O3/c1-4-7-10-13-11(8-5-2)12-9-6-3;2-1(3)4/h4-10H2,1-3H3,(H,12,13);(H2,2,3,4)
InChIKeyNABGKEBHCDEFER-UHFFFAOYSA-N
XLogP3.21
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-dipentylpentanimidamide
CID 88678498
butylcarbamic acid
CID 3026651
5-[(N'-propylcarbamimidoyl)amino]pentanoic acid
CID 163528176
butylcarbamic acid;zinc
CID 141049802
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
2-(propylamino)-2-propyliminoacetic acid
CID 87187042
N-butyl-1-phosphanylformamide
CID 89204579
butylcarbamoylazanium
CID 143909883
N-butylcarbamoyl chloride
CID 14251115
N-amino-N'-propyldecanimidamide
CID 65427177

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-propylbutanimidamide;carbonic acid?
The IUPAC name of N-butyl-N'-propylbutanimidamide;carbonic acid (CID 175099903) is N-butyl-N'-propylbutanimidamide;carbonic acid.
What is the SMILES notation for N-butyl-N'-propylbutanimidamide;carbonic acid?
The canonical SMILES for N-butyl-N'-propylbutanimidamide;carbonic acid is CCCCN/C(CCC)=N/CCC.O=C(O)O.
What is the InChIKey of N-butyl-N'-propylbutanimidamide;carbonic acid?
The InChIKey is NABGKEBHCDEFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.CH2O3/c1-4-7-10-13-11(8-5-2)12-9-6-3;2-1(3)4/h4-10H2,1-3H3,(H,12,13);(H2,2,3,4).
What are the key properties of N-butyl-N'-propylbutanimidamide;carbonic acid?
N-butyl-N'-propylbutanimidamide;carbonic acid has a molecular weight of 246.35 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-propylbutanimidamide;carbonic acid is sourced from PubChem (CID 175099903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).