1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine

C8H18NP — CID 129152153

IUPAC1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine
SMILESCCC1CP(C)C1CNC
InChIInChI=1S/C8H18NP/c1-4-7-6-10(3)8(7)5-9-2/h7-9H,4-6H2,1-3H3
InChIKeyMGFFUXLIQKMVHP-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.73
Rot. Bonds3

About 1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine

1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine (PubChem CID 129152153) has the molecular formula C8H18NP and a molecular weight of 159.21 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine
PubChem CID129152153
Molecular FormulaC8H18NP
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine
SMILESCCC1CP(C)C1CNC
InChIInChI=1S/C8H18NP/c1-4-7-6-10(3)8(7)5-9-2/h7-9H,4-6H2,1-3H3
InChIKeyMGFFUXLIQKMVHP-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylaminomethyl)cyclopropyl]methanethiol
CID 137465471
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine
CID 129125937
1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 126603224
ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine
CID 168902447
N-methyl-2-(methylaminomethyl)cyclopropan-1-amine
CID 89351748
1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine
CID 158825084
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106002916
1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 123972141
1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine
CID 166968123

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine (CID 129152153) is 1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine is CCC1CP(C)C1CNC.
What is the InChIKey of 1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine?
The InChIKey is MGFFUXLIQKMVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NP/c1-4-7-6-10(3)8(7)5-9-2/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine?
1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine has a molecular weight of 159.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 129152153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).