3-methyl-1-(methyliminomethylideneamino)pentan-3-amine

C8H17N3 — CID 86640672

IUPAC3-methyl-1-(methyliminomethylideneamino)pentan-3-amine
SMILESCCC(C)(N)CCN=C=NC
InChIInChI=1S/C8H17N3/c1-4-8(2,9)5-6-11-7-10-3/h4-6,9H2,1-3H3
InChIKeySENIYBUOEMCWRA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds4

About 3-methyl-1-(methyliminomethylideneamino)pentan-3-amine

3-methyl-1-(methyliminomethylideneamino)pentan-3-amine (PubChem CID 86640672) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-methyl-1-(methyliminomethylideneamino)pentan-3-amine.

Molecular Properties

Compound Name3-methyl-1-(methyliminomethylideneamino)pentan-3-amine
PubChem CID86640672
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name3-methyl-1-(methyliminomethylideneamino)pentan-3-amine
SMILESCCC(C)(N)CCN=C=NC
InChIInChI=1S/C8H17N3/c1-4-8(2,9)5-6-11-7-10-3/h4-6,9H2,1-3H3
InChIKeySENIYBUOEMCWRA-UHFFFAOYSA-N
XLogP1.31
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(ethyliminomethylideneamino)butane-2,2-diamine
CID 177255665
4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride
CID 177255664
3,6-dimethylheptan-3-amine;ethane
CID 156844908
N'-ethyl-N-methylmethanediimine;hydrochloride
CID 174911040
N-methyl-N'-(3-methylpentan-3-yl)methanediimine
CID 86598848
7-methoxy-3-methylheptan-3-amine
CID 104650485
3-methylheptan-3-amine
CID 91396361
3-methyloctadecan-3-amine
CID 54058172
N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine
CID 11009967
3-methylpentan-3-amine;piperazine
CID 158998122
N-methyl-N'-(phosphanylmethyl)methanediimine
CID 58732083
1-cyclobutyl-3-methylpentan-3-amine
CID 131227584

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(methyliminomethylideneamino)pentan-3-amine?
The IUPAC name of 3-methyl-1-(methyliminomethylideneamino)pentan-3-amine (CID 86640672) is 3-methyl-1-(methyliminomethylideneamino)pentan-3-amine.
What is the SMILES notation for 3-methyl-1-(methyliminomethylideneamino)pentan-3-amine?
The canonical SMILES for 3-methyl-1-(methyliminomethylideneamino)pentan-3-amine is CCC(C)(N)CCN=C=NC.
What is the InChIKey of 3-methyl-1-(methyliminomethylideneamino)pentan-3-amine?
The InChIKey is SENIYBUOEMCWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-8(2,9)5-6-11-7-10-3/h4-6,9H2,1-3H3.
What are the key properties of 3-methyl-1-(methyliminomethylideneamino)pentan-3-amine?
3-methyl-1-(methyliminomethylideneamino)pentan-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(methyliminomethylideneamino)pentan-3-amine is sourced from PubChem (CID 86640672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).