4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid

C10H24N4O2 — CID 141222320

IUPAC4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid
SMILESCC(C(N)CCC(=O)O)N(CCN)CCN
InChIInChI=1S/C10H24N4O2/c1-8(9(13)2-3-10(15)16)14(6-4-11)7-5-12/h8-9H,2-7,11-13H2,1H3,(H,15,16)
InChIKeyFXJCLVACYUIRKR-UHFFFAOYSA-N
MW232.33 g/mol
LogP-1.21
Rot. Bonds9

About 4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid

4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid (PubChem CID 141222320) has the molecular formula C10H24N4O2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid.

Molecular Properties

Compound Name4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid
PubChem CID141222320
Molecular FormulaC10H24N4O2
Molecular Weight232.33 g/mol
Exact Mass232.19
IUPAC Name4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid
SMILESCC(C(N)CCC(=O)O)N(CCN)CCN
InChIInChI=1S/C10H24N4O2/c1-8(9(13)2-3-10(15)16)14(6-4-11)7-5-12/h8-9H,2-7,11-13H2,1H3,(H,15,16)
InChIKeyFXJCLVACYUIRKR-UHFFFAOYSA-N
XLogP-1.21
TPSA118.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-fluorohexanoic acid
CID 78098113
4-amino-5-hydroxy-6-methylheptanoic acid
CID 91339915
(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride
CID 55254083
4-aminopentanoic acid;ethane
CID 143436801
(4R)-4-amino-5,5-difluoropentanoic acid
CID 51901753
7-amino-4-methylheptanoic acid
CID 57310581
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 64896188
2-[3-[bis(carboxymethyl)amino]butan-2-yl-(carboxymethyl)amino]acetic acid;butane-2,3-diamine
CID 23020639
2-aminoethyl(propan-2-yl)carbamic acid
CID 88850565
(4R)-4-amino-6-methyl-5-oxoheptanoic acid
CID 139478351
4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid
CID 62213823

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid?
The IUPAC name of 4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid (CID 141222320) is 4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid.
What is the SMILES notation for 4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid?
The canonical SMILES for 4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid is CC(C(N)CCC(=O)O)N(CCN)CCN.
What is the InChIKey of 4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid?
The InChIKey is FXJCLVACYUIRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2/c1-8(9(13)2-3-10(15)16)14(6-4-11)7-5-12/h8-9H,2-7,11-13H2,1H3,(H,15,16).
What are the key properties of 4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid?
4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid has a molecular weight of 232.33 g/mol, XLogP of -1.21, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid is sourced from PubChem (CID 141222320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).