N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid

C14H32N4O4 — CID 174466716

IUPACN,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
SMILESNCCCNCCCCNCCCN.O=C(O)CCC(=O)O
InChIInChI=1S/C10H26N4.C4H6O4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;5-3(6)1-2-4(7)8/h13-14H,1-12H2;1-2H2,(H,5,6)(H,7,8)
InChIKeyFCJSRTLZFBFBPB-UHFFFAOYSA-N
MW320.43 g/mol
LogP-0.42
Rot. Bonds14

About N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid

N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid (PubChem CID 174466716) has the molecular formula C14H32N4O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid.

Molecular Properties

Compound NameN,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
PubChem CID174466716
Molecular FormulaC14H32N4O4
Molecular Weight320.43 g/mol
Exact Mass320.24
IUPAC NameN,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
SMILESNCCCNCCCCNCCCN.O=C(O)CCC(=O)O
InChIInChI=1S/C10H26N4.C4H6O4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;5-3(6)1-2-4(7)8/h13-14H,1-12H2;1-2H2,(H,5,6)(H,7,8)
InChIKeyFCJSRTLZFBFBPB-UHFFFAOYSA-N
XLogP-0.42
TPSA150.70 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 5-0.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
N'-(3-aminopropyl)butane-1,4-diamine;but-2-enedioic acid
CID 173087831
4-(3-carboxypropylamino)butanoic acid
CID 4072500
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide
CID 59687521
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid?
The IUPAC name of N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid (CID 174466716) is N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid.
What is the SMILES notation for N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid?
The canonical SMILES for N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid is NCCCNCCCCNCCCN.O=C(O)CCC(=O)O.
What is the InChIKey of N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid?
The InChIKey is FCJSRTLZFBFBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4.C4H6O4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;5-3(6)1-2-4(7)8/h13-14H,1-12H2;1-2H2,(H,5,6)(H,7,8).
What are the key properties of N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid?
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid has a molecular weight of 320.43 g/mol, XLogP of -0.42, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid is sourced from PubChem (CID 174466716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).