N-methyl-1-pent-2-enoxymethanamine

C7H15NO — CID 122695119

IUPACN-methyl-1-pent-2-enoxymethanamine
SMILESCCC=CCOCNC
InChIInChI=1S/C7H15NO/c1-3-4-5-6-9-7-8-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHWWSSECSUZDBQP-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.15
Rot. Bonds5

About N-methyl-1-pent-2-enoxymethanamine

N-methyl-1-pent-2-enoxymethanamine (PubChem CID 122695119) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-methyl-1-pent-2-enoxymethanamine.

Molecular Properties

Compound NameN-methyl-1-pent-2-enoxymethanamine
PubChem CID122695119
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-methyl-1-pent-2-enoxymethanamine
SMILESCCC=CCOCNC
InChIInChI=1S/C7H15NO/c1-3-4-5-6-9-7-8-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHWWSSECSUZDBQP-UHFFFAOYSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pent-2-enoxymethanamine?
The IUPAC name of N-methyl-1-pent-2-enoxymethanamine (CID 122695119) is N-methyl-1-pent-2-enoxymethanamine.
What is the SMILES notation for N-methyl-1-pent-2-enoxymethanamine?
The canonical SMILES for N-methyl-1-pent-2-enoxymethanamine is CCC=CCOCNC.
What is the InChIKey of N-methyl-1-pent-2-enoxymethanamine?
The InChIKey is HWWSSECSUZDBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-5-6-9-7-8-2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N-methyl-1-pent-2-enoxymethanamine?
N-methyl-1-pent-2-enoxymethanamine has a molecular weight of 129.20 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pent-2-enoxymethanamine is sourced from PubChem (CID 122695119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).