N-(3,3-dimethylbutan-2-ylideneamino)methanamine

C7H16N2 — CID 86118020

IUPACN-(3,3-dimethylbutan-2-ylideneamino)methanamine
SMILESCNN=C(C)C(C)(C)C
InChIInChI=1S/C7H16N2/c1-6(9-8-5)7(2,3)4/h8H,1-5H3
InChIKeyPUJNJVNLKTXFMI-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.63
Rot. Bonds1

About N-(3,3-dimethylbutan-2-ylideneamino)methanamine

N-(3,3-dimethylbutan-2-ylideneamino)methanamine (PubChem CID 86118020) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-ylideneamino)methanamine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-ylideneamino)methanamine
PubChem CID86118020
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-(3,3-dimethylbutan-2-ylideneamino)methanamine
SMILESCNN=C(C)C(C)(C)C
InChIInChI=1S/C7H16N2/c1-6(9-8-5)7(2,3)4/h8H,1-5H3
InChIKeyPUJNJVNLKTXFMI-UHFFFAOYSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-methylpropan-2-amine
CID 18594020
1-[(E)-3,3-dimethylbutan-2-ylideneamino]-3-methylguanidine
CID 176535024
N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine
CID 6850505
tert-butyl N-methylethanehydrazonate
CID 159503466
1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine
CID 176525594
2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol
CID 23261380
N-(3,3-dimethylbutan-2-ylideneamino)aniline
CID 85176493
methyl N,N'-bis[(E)-3,3-dimethylbutan-2-ylideneamino]carbamimidothioate
CID 18528910
N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine
CID 1210394
4-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]benzoic acid
CID 126969277
N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
CID 88948516
ethane;methyl (1Z)-N-methylethanehydrazonate
CID 167502195

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-ylideneamino)methanamine?
The IUPAC name of N-(3,3-dimethylbutan-2-ylideneamino)methanamine (CID 86118020) is N-(3,3-dimethylbutan-2-ylideneamino)methanamine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-ylideneamino)methanamine?
The canonical SMILES for N-(3,3-dimethylbutan-2-ylideneamino)methanamine is CNN=C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-ylideneamino)methanamine?
The InChIKey is PUJNJVNLKTXFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(9-8-5)7(2,3)4/h8H,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-ylideneamino)methanamine?
N-(3,3-dimethylbutan-2-ylideneamino)methanamine has a molecular weight of 128.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-ylideneamino)methanamine is sourced from PubChem (CID 86118020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).