N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid

C9H23N3O2 — CID 160545758

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid
SMILESCCCCC(=O)O.NCCNCCN
InChIInChI=1S/C5H10O2.C4H13N3/c1-2-3-4-5(6)7;5-1-3-7-4-2-6/h2-4H2,1H3,(H,6,7);7H,1-6H2
InChIKeyQXKFNHYVFMOZCK-UHFFFAOYSA-N
MW205.30 g/mol
LogP-0.25
Rot. Bonds7

About N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid

N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid (PubChem CID 160545758) has the molecular formula C9H23N3O2 and a molecular weight of 205.30 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid
PubChem CID160545758
Molecular FormulaC9H23N3O2
Molecular Weight205.30 g/mol
Exact Mass205.18
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid
SMILESCCCCC(=O)O.NCCNCCN
InChIInChI=1S/C5H10O2.C4H13N3/c1-2-3-4-5(6)7;5-1-3-7-4-2-6/h2-4H2,1H3,(H,6,7);7H,1-6H2
InChIKeyQXKFNHYVFMOZCK-UHFFFAOYSA-N
XLogP-0.25
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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
N'-(2-aminoethyl)ethane-1,2-diamine;(Z)-octadec-9-enoic acid
CID 6441410
2-(2-aminoethylamino)ethanol;butanoic acid
CID 161214236
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
N-butylbutan-1-amine;decanedioic acid
CID 159923840
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422
hexanedioic acid;N-propylpropan-1-amine
CID 88686443
5-(butylamino)pentanoic acid;silver
CID 174567660
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid (CID 160545758) is N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid is CCCCC(=O)O.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid?
The InChIKey is QXKFNHYVFMOZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H13N3/c1-2-3-4-5(6)7;5-1-3-7-4-2-6/h2-4H2,1H3,(H,6,7);7H,1-6H2.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid?
N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid has a molecular weight of 205.30 g/mol, XLogP of -0.25, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;pentanoic acid is sourced from PubChem (CID 160545758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).