N-methyl-N-(pentylideneamino)methanamine

C7H16N2 — CID 518873

IUPACN-methyl-N-(pentylideneamino)methanamine
SMILESCCCCC=NN(C)C
InChIInChI=1S/C7H16N2/c1-4-5-6-7-8-9(2)3/h7H,4-6H2,1-3H3
InChIKeyGETAETQIBNJCHL-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.72
Rot. Bonds4

About N-methyl-N-(pentylideneamino)methanamine

N-methyl-N-(pentylideneamino)methanamine (PubChem CID 518873) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-methyl-N-(pentylideneamino)methanamine.

Molecular Properties

Compound NameN-methyl-N-(pentylideneamino)methanamine
PubChem CID518873
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-methyl-N-(pentylideneamino)methanamine
SMILESCCCCC=NN(C)C
InChIInChI=1S/C7H16N2/c1-4-5-6-7-8-9(2)3/h7H,4-6H2,1-3H3
InChIKeyGETAETQIBNJCHL-UHFFFAOYSA-N
XLogP1.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pentylideneamino)methanamine?
The IUPAC name of N-methyl-N-(pentylideneamino)methanamine (CID 518873) is N-methyl-N-(pentylideneamino)methanamine.
What is the SMILES notation for N-methyl-N-(pentylideneamino)methanamine?
The canonical SMILES for N-methyl-N-(pentylideneamino)methanamine is CCCCC=NN(C)C.
What is the InChIKey of N-methyl-N-(pentylideneamino)methanamine?
The InChIKey is GETAETQIBNJCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-5-6-7-8-9(2)3/h7H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-(pentylideneamino)methanamine?
N-methyl-N-(pentylideneamino)methanamine has a molecular weight of 128.22 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pentylideneamino)methanamine is sourced from PubChem (CID 518873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).