2-(6-aminohexylamino)-2-decylpropanedioic acid

C19H38N2O4 — CID 162477286

IUPAC2-(6-aminohexylamino)-2-decylpropanedioic acid
SMILESCCCCCCCCCCC(NCCCCCCN)(C(=O)O)C(=O)O
InChIInChI=1S/C19H38N2O4/c1-2-3-4-5-6-7-8-11-14-19(17(22)23,18(24)25)21-16-13-10-9-12-15-20/h21H,2-16,20H2,1H3,(H,22,23)(H,24,25)
InChIKeyZNIBBABHVSKCQU-UHFFFAOYSA-N
MW358.52 g/mol
LogP3.53
Rot. Bonds18

About 2-(6-aminohexylamino)-2-decylpropanedioic acid

2-(6-aminohexylamino)-2-decylpropanedioic acid (PubChem CID 162477286) has the molecular formula C19H38N2O4 and a molecular weight of 358.52 g/mol. Its IUPAC name is 2-(6-aminohexylamino)-2-decylpropanedioic acid.

Molecular Properties

Compound Name2-(6-aminohexylamino)-2-decylpropanedioic acid
PubChem CID162477286
Molecular FormulaC19H38N2O4
Molecular Weight358.52 g/mol
Exact Mass358.28
IUPAC Name2-(6-aminohexylamino)-2-decylpropanedioic acid
SMILESCCCCCCCCCCC(NCCCCCCN)(C(=O)O)C(=O)O
InChIInChI=1S/C19H38N2O4/c1-2-3-4-5-6-7-8-11-14-19(17(22)23,18(24)25)21-16-13-10-9-12-15-20/h21H,2-16,20H2,1H3,(H,22,23)(H,24,25)
InChIKeyZNIBBABHVSKCQU-UHFFFAOYSA-N
XLogP3.53
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-aminobutyl)-2-(dodecanoylamino)-3-oxotetradecanoic acid
CID 54251917
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
decan-1-amine;2,2-dihydroxyoctadecanoic acid
CID 158461548
dodecan-1-amine;2,2,2-trifluoroacetic acid
CID 71401775
acetic acid;hexan-1-amine
CID 174564294
carbamic acid;hexan-1-amine
CID 158177123
acetic acid;hexacosan-1-amine
CID 172814522
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
2-methyl-2-(nonylamino)propanoic acid
CID 65263943
2-(aminomethyl)-2-octyldecanoic acid
CID 54024199
2-(2-aminoethyl)-2-bromohexadecanoic acid
CID 87421533
2-chloroacetic acid;dodecan-1-amine
CID 12721583

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexylamino)-2-decylpropanedioic acid?
The IUPAC name of 2-(6-aminohexylamino)-2-decylpropanedioic acid (CID 162477286) is 2-(6-aminohexylamino)-2-decylpropanedioic acid.
What is the SMILES notation for 2-(6-aminohexylamino)-2-decylpropanedioic acid?
The canonical SMILES for 2-(6-aminohexylamino)-2-decylpropanedioic acid is CCCCCCCCCCC(NCCCCCCN)(C(=O)O)C(=O)O.
What is the InChIKey of 2-(6-aminohexylamino)-2-decylpropanedioic acid?
The InChIKey is ZNIBBABHVSKCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O4/c1-2-3-4-5-6-7-8-11-14-19(17(22)23,18(24)25)21-16-13-10-9-12-15-20/h21H,2-16,20H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-(6-aminohexylamino)-2-decylpropanedioic acid?
2-(6-aminohexylamino)-2-decylpropanedioic acid has a molecular weight of 358.52 g/mol, XLogP of 3.53, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexylamino)-2-decylpropanedioic acid is sourced from PubChem (CID 162477286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).