(2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid

C11H24N4O2 — CID 18391752

IUPAC(2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid
SMILESCCN(CC)[C@H](CCCCN=C(N)N)C(=O)O
InChIInChI=1S/C11H24N4O2/c1-3-15(4-2)9(10(16)17)7-5-6-8-14-11(12)13/h9H,3-8H2,1-2H3,(H,16,17)(H4,12,13,14)/t9-/m1/s1
InChIKeyBVYGCENHXMSEPS-SECBINFHSA-N
MW244.34 g/mol
LogP0.23
Rot. Bonds9

About (2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid

(2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid (PubChem CID 18391752) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid.

Molecular Properties

Compound Name(2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid
PubChem CID18391752
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name(2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid
SMILESCCN(CC)[C@H](CCCCN=C(N)N)C(=O)O
InChIInChI=1S/C11H24N4O2/c1-3-15(4-2)9(10(16)17)7-5-6-8-14-11(12)13/h9H,3-8H2,1-2H3,(H,16,17)(H4,12,13,14)/t9-/m1/s1
InChIKeyBVYGCENHXMSEPS-SECBINFHSA-N
XLogP0.23
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,7-bis(diethylamino)octanedioic acid
CID 175151576
2-[carboxy(ethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 87725299
(2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid
CID 57242518
5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid
CID 177260030
(2S)-2-[bis(2-hydroxyethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 87394286
2-(diethylamino)heptanoic acid
CID 43803668
(2S)-2-[bis(phosphonomethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 25153759
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
2-[bromo(chloro)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 44815136
(2S)-2-[bis[3-(2-hydroxyoctadecan-3-yloxy)propyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 57172483
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid?
The IUPAC name of (2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid (CID 18391752) is (2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid.
What is the SMILES notation for (2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid?
The canonical SMILES for (2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid is CCN(CC)[C@H](CCCCN=C(N)N)C(=O)O.
What is the InChIKey of (2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid?
The InChIKey is BVYGCENHXMSEPS-SECBINFHSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-3-15(4-2)9(10(16)17)7-5-6-8-14-11(12)13/h9H,3-8H2,1-2H3,(H,16,17)(H4,12,13,14)/t9-/m1/s1.
What are the key properties of (2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid?
(2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid has a molecular weight of 244.34 g/mol, XLogP of 0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid is sourced from PubChem (CID 18391752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).