[(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium

C14H28N5+ — CID 126595638

IUPAC[(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium
SMILESC#[N+]/C(CC(C)(C)C/C=N/C)=N\N(N)CC(C)(C)C
InChIInChI=1S/C14H28N5/c1-13(2,3)11-19(15)18-12(17-7)10-14(4,5)8-9-16-6/h7,9H,8,10-11,15H2,1-6H3/q+1/b16-9+,18-12-
InChIKeyLKEWJLQRYBQMTM-PXOAPQIOSA-N
MW266.41 g/mol
LogP2.99
Rot. Bonds6

About [(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium

[(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium (PubChem CID 126595638) has the molecular formula C14H28N5+ and a molecular weight of 266.41 g/mol. Its IUPAC name is [(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium.

Molecular Properties

Compound Name[(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium
PubChem CID126595638
Molecular FormulaC14H28N5+
Molecular Weight266.41 g/mol
Exact Mass266.23
IUPAC Name[(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium
SMILESC#[N+]/C(CC(C)(C)C/C=N/C)=N\N(N)CC(C)(C)C
InChIInChI=1S/C14H28N5/c1-13(2,3)11-19(15)18-12(17-7)10-14(4,5)8-9-16-6/h7,9H,8,10-11,15H2,1-6H3/q+1/b16-9+,18-12-
InChIKeyLKEWJLQRYBQMTM-PXOAPQIOSA-N
XLogP2.99
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminopropan-2-yl)-N-(2,2-dimethylpropyl)propanamide
CID 123345232
2-ethyl-2-(2-methyliminoethyl)pentan-1-ol
CID 163575791
N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine
CID 172941752
(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
CID 102143435
N,N-diethyl-2,2-dimethylpropan-1-amine;propane
CID 159791280
N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine
CID 173396921
1-(2,2-dimethylpropyl)-1-methylthiourea
CID 13144610
1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine
CID 59021791
N,N-bis(2,2-dimethylpropyl)nitrous amide
CID 87559088
N-(chloromethyl)-N,2,2-trimethylpropan-1-amine
CID 115263125
2-[1-(dimethylamino)-2-methylpropan-2-yl]-1-hydroxyguanidine
CID 130698259
2,4,4-trimethylhepta-1,6-diene
CID 15205594

Frequently Asked Questions

What is the IUPAC name of [(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium?
The IUPAC name of [(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium (CID 126595638) is [(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium.
What is the SMILES notation for [(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium?
The canonical SMILES for [(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium is C#[N+]/C(CC(C)(C)C/C=N/C)=N\N(N)CC(C)(C)C.
What is the InChIKey of [(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium?
The InChIKey is LKEWJLQRYBQMTM-PXOAPQIOSA-N. The full InChI is InChI=1S/C14H28N5/c1-13(2,3)11-19(15)18-12(17-7)10-14(4,5)8-9-16-6/h7,9H,8,10-11,15H2,1-6H3/q+1/b16-9+,18-12-.
What are the key properties of [(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium?
[(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium has a molecular weight of 266.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-N-[amino(2,2-dimethylpropyl)amino]-C-(2,2-dimethyl-4-methyliminobutyl)carbonimidoyl]-methylidyneazanium is sourced from PubChem (CID 126595638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).