3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine

C10H20N2 — CID 134259785

IUPAC3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine
SMILESC=NCC1CC(NCC(C)C)C1
InChIInChI=1S/C10H20N2/c1-8(2)6-12-10-4-9(5-10)7-11-3/h8-10,12H,3-7H2,1-2H3
InChIKeyNGCALSTXGOLVRP-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.71
Rot. Bonds5

About 3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine

3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine (PubChem CID 134259785) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine
PubChem CID134259785
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine
SMILESC=NCC1CC(NCC(C)C)C1
InChIInChI=1S/C10H20N2/c1-8(2)6-12-10-4-9(5-10)7-11-3/h8-10,12H,3-7H2,1-2H3
InChIKeyNGCALSTXGOLVRP-UHFFFAOYSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine (CID 134259785) is 3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine is C=NCC1CC(NCC(C)C)C1.
What is the InChIKey of 3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine?
The InChIKey is NGCALSTXGOLVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)6-12-10-4-9(5-10)7-11-3/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine?
3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 134259785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).