1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine

C7H18NOP — CID 177367561

IUPAC1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine
SMILESCCC(COC)N(C)CP
InChIInChI=1S/C7H18NOP/c1-4-7(5-9-3)8(2)6-10/h7H,4-6,10H2,1-3H3
InChIKeyBAHOSLPSYDPUSE-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.18
Rot. Bonds5

About 1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine

1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine (PubChem CID 177367561) has the molecular formula C7H18NOP and a molecular weight of 163.20 g/mol. Its IUPAC name is 1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine
PubChem CID177367561
Molecular FormulaC7H18NOP
Molecular Weight163.20 g/mol
Exact Mass163.11
IUPAC Name1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine
SMILESCCC(COC)N(C)CP
InChIInChI=1S/C7H18NOP/c1-4-7(5-9-3)8(2)6-10/h7H,4-6,10H2,1-3H3
InChIKeyBAHOSLPSYDPUSE-UHFFFAOYSA-N
XLogP1.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-N,N-dimethylbutan-2-amine
CID 45087490
1-Methoxybutan-2-yl(trimethyl)azanium
CID 20714786
1-Methoxybutan-2-yl-methyl-dipropylazanium
CID 20714789
1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine
CID 22975529
(2R)-1-methoxy-N,N-dimethylbutan-2-amine
CID 58222031
(2S)-1-methoxy-N,N-dimethylbutan-2-amine
CID 59505088
1-ethoxy-N,N-dimethylbutan-2-amine
CID 85659185
1-Ethoxybutan-2-yl(trimethyl)azanium
CID 123447856
N-ethyl-1-methoxy-N-methylbutan-2-amine
CID 131018371
N-ethyl-1-methoxy-N-propan-2-ylbutan-2-amine
CID 134216572
ethane;N-ethyl-1-methoxy-N-methylbutan-2-amine
CID 142129388
N-(2-methoxy-2-phosphanylethyl)-N-methylpropan-1-amine
CID 147883645

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine (CID 177367561) is 1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine is CCC(COC)N(C)CP.
What is the InChIKey of 1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine?
The InChIKey is BAHOSLPSYDPUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NOP/c1-4-7(5-9-3)8(2)6-10/h7H,4-6,10H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine?
1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine has a molecular weight of 163.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine is sourced from PubChem (CID 177367561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).