(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine

C11H28N4O2 — CID 87328180

IUPAC(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
SMILESNCCCCCN.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C5H14N2/c7-4-2-1-3-5(8)6(9)10;6-4-2-1-3-5-7/h5H,1-4,7-8H2,(H,9,10);1-7H2/t5-;/m0./s1
InChIKeyHAKOAZWZCJNTBF-JEDNCBNOSA-N
MW248.37 g/mol
LogP-0.40
Rot. Bonds9

About (2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine

(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine (PubChem CID 87328180) has the molecular formula C11H28N4O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
PubChem CID87328180
Molecular FormulaC11H28N4O2
Molecular Weight248.37 g/mol
Exact Mass248.22
IUPAC Name(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
SMILESNCCCCCN.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C5H14N2/c7-4-2-1-3-5(8)6(9)10;6-4-2-1-3-5-7/h5H,1-4,7-8H2,(H,9,10);1-7H2/t5-;/m0./s1
InChIKeyHAKOAZWZCJNTBF-JEDNCBNOSA-N
XLogP-0.40
TPSA141.38 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-0.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,13-diaminotridecanoic acid
CID 141414897
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine (CID 87328180) is (2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine is NCCCCCN.NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine?
The InChIKey is HAKOAZWZCJNTBF-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O2.C5H14N2/c7-4-2-1-3-5(8)6(9)10;6-4-2-1-3-5-7/h5H,1-4,7-8H2,(H,9,10);1-7H2/t5-;/m0./s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine?
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine has a molecular weight of 248.37 g/mol, XLogP of -0.40, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine is sourced from PubChem (CID 87328180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).