bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride

C10H21ClN10O4 — CID 175018028

IUPACbis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride
SMILESCl.NC(N)=NC(N)=NOC(=O)CCCCC(=O)ON=C(N)N=C(N)N
InChIInChI=1S/C10H20N10O4.ClH/c11-7(12)17-9(15)19-23-5(21)3-1-2-4-6(22)24-20-10(16)18-8(13)14;/h1-4H2,(H6,11,12,15,17,19)(H6,13,14,16,18,20);1H
InChIKeyNOFLVPNKIQIKHI-UHFFFAOYSA-N
MW380.80 g/mol
LogP-2.94
Rot. Bonds7

About bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride

bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride (PubChem CID 175018028) has the molecular formula C10H21ClN10O4 and a molecular weight of 380.80 g/mol. Its IUPAC name is bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride.

Molecular Properties

Compound Namebis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride
PubChem CID175018028
Molecular FormulaC10H21ClN10O4
Molecular Weight380.80 g/mol
Exact Mass380.14
IUPAC Namebis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride
SMILESCl.NC(N)=NC(N)=NOC(=O)CCCCC(=O)ON=C(N)N=C(N)N
InChIInChI=1S/C10H20N10O4.ClH/c11-7(12)17-9(15)19-23-5(21)3-1-2-4-6(22)24-20-10(16)18-8(13)14;/h1-4H2,(H6,11,12,15,17,19)(H6,13,14,16,18,20);1H
InChIKeyNOFLVPNKIQIKHI-UHFFFAOYSA-N
XLogP-2.94
TPSA258.16 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 5-2.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(diaminomethylideneamino) 4-(diaminomethylideneamino)butanoate
CID 138543862
ethyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]butanoate
CID 83034898
N,N'-bis(diaminomethylidene)octanediamide
CID 22639613
(octan-2-ylideneamino) hexanoate
CID 142734724
ethyl 3-[[amino-(diaminomethylideneamino)methylidene]amino]propanoate
CID 10778684
alumane;hexanediperoxoic acid
CID 173462864
[bis(dimethylamino)methylideneamino] dodecanoate
CID 141191449
1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid
CID 54605636
N'-(diaminomethylidene)pentanediamide
CID 146034361
bis(hydroxymethyl) hexanedioate
CID 22892542
diamino tetradecanedioate
CID 174564109
diethyl hexanedioate
CID 160747628

Frequently Asked Questions

What is the IUPAC name of bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride?
The IUPAC name of bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride (CID 175018028) is bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride.
What is the SMILES notation for bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride?
The canonical SMILES for bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride is Cl.NC(N)=NC(N)=NOC(=O)CCCCC(=O)ON=C(N)N=C(N)N.
What is the InChIKey of bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride?
The InChIKey is NOFLVPNKIQIKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N10O4.ClH/c11-7(12)17-9(15)19-23-5(21)3-1-2-4-6(22)24-20-10(16)18-8(13)14;/h1-4H2,(H6,11,12,15,17,19)(H6,13,14,16,18,20);1H.
What are the key properties of bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride?
bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride has a molecular weight of 380.80 g/mol, XLogP of -2.94, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride is sourced from PubChem (CID 175018028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).