carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide)

C29H69N9-4 — CID 160563062

IUPACcarbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide)
SMILESC/N=C(/NC)C(C)C.C/N=C(/NC)C(C)C.C/N=C(/NC)C(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[H]/N=C(\N)C/N=C(\C)C(C)C
InChIInChI=1S/C7H15N3.3C6H14N2.4CH3/c1-5(2)6(3)10-4-7(8)9;3*1-5(2)6(7-3)8-4;;;;/h5H,4H2,1-3H3,(H3,8,9);3*5H,1-4H3,(H,7,8);4*1H3/q;;;;4*-1/b10-6+;;;;;;;
InChIKeyQZOMQTCMBUCHQU-OEWOPMNVSA-N
MW543.93 g/mol
LogP5.51
Rot. Bonds6

About carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide)

carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide) (PubChem CID 160563062) has the molecular formula C29H69N9-4 and a molecular weight of 543.93 g/mol. Its IUPAC name is carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide).

Molecular Properties

Compound Namecarbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide)
PubChem CID160563062
Molecular FormulaC29H69N9-4
Molecular Weight543.93 g/mol
Exact Mass543.57
IUPAC Namecarbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide)
SMILESC/N=C(/NC)C(C)C.C/N=C(/NC)C(C)C.C/N=C(/NC)C(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[H]/N=C(\N)C/N=C(\C)C(C)C
InChIInChI=1S/C7H15N3.3C6H14N2.4CH3/c1-5(2)6(3)10-4-7(8)9;3*1-5(2)6(7-3)8-4;;;;/h5H,4H2,1-3H3,(H3,8,9);3*5H,1-4H3,(H,7,8);4*1H3/q;;;;4*-1/b10-6+;;;;;;;
InChIKeyQZOMQTCMBUCHQU-OEWOPMNVSA-N
XLogP5.51
TPSA135.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.93
LogP ≤ 55.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;N,N',2-trimethylpropanimidamide
CID 155741281
4,4-dimethyl-5-[[2-methyl-1-(propan-2-ylamino)propylidene]amino]pentanimidamide
CID 166738649
2-N,5-dimethylhexane-2,4-diimine
CID 123840762
2-[1-[4-(2-methylpropylsulfinyl)phenyl]ethylideneamino]ethanimidamide
CID 166072653
2-N-ethyl-5-methylhexane-2,4-diimine
CID 123963604
3-methylbutanimidamide;hydrochloride
CID 18967932
2-[1-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]ethanimidamide;dihydrochloride
CID 172917804
ethyl 2-(methylamino)-2-methyliminoethanimidate
CID 177040509
2-butan-2-yloxyethanimidamide
CID 60902733
(3-methylbutan-2-ylideneamino)thiourea
CID 4209785
N-(N'-methylcarbamimidoyl)ethanimidamide
CID 176526831
2-azidoethanimidamide
CID 150332829

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide)?
The IUPAC name of carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide) (CID 160563062) is carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide).
What is the SMILES notation for carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide)?
The canonical SMILES for carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide) is C/N=C(/NC)C(C)C.C/N=C(/NC)C(C)C.C/N=C(/NC)C(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[H]/N=C(\N)C/N=C(\C)C(C)C.
What is the InChIKey of carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide)?
The InChIKey is QZOMQTCMBUCHQU-OEWOPMNVSA-N. The full InChI is InChI=1S/C7H15N3.3C6H14N2.4CH3/c1-5(2)6(3)10-4-7(8)9;3*1-5(2)6(7-3)8-4;;;;/h5H,4H2,1-3H3,(H3,8,9);3*5H,1-4H3,(H,7,8);4*1H3/q;;;;4*-1/b10-6+;;;;;;;.
What are the key properties of carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide)?
carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide) has a molecular weight of 543.93 g/mol, XLogP of 5.51, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide) is sourced from PubChem (CID 160563062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).