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

C9H24NOP — CID 177367560

IUPACethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine
SMILESCC.CCC(COC)N(C)CP
InChIInChI=1S/C7H18NOP.C2H6/c1-4-7(5-9-3)8(2)6-10;1-2/h7H,4-6,10H2,1-3H3;1-2H3
InChIKeyBNMCNMJANSZTSC-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.20
Rot. Bonds5

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

ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine (PubChem CID 177367560) has the molecular formula C9H24NOP and a molecular weight of 193.27 g/mol. Its IUPAC name is ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine.

Molecular Properties

Compound Nameethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine
PubChem CID177367560
Molecular FormulaC9H24NOP
Molecular Weight193.27 g/mol
Exact Mass193.16
IUPAC Nameethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine
SMILESCC.CCC(COC)N(C)CP
InChIInChI=1S/C7H18NOP.C2H6/c1-4-7(5-9-3)8(2)6-10;1-2/h7H,4-6,10H2,1-3H3;1-2H3
InChIKeyBNMCNMJANSZTSC-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.20
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-methyl-N-(phosphanylmethyl)butan-2-amine
CID 177367561
1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine
CID 22975529
4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid
CID 65067772
3-methoxy-1-N,2-N-dimethyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 107505411
N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine
CID 66221244
1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine
CID 177341857
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
N-(2-methoxyethyl)-N-methyl-1-phenoxybutan-2-amine
CID 143240290
2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol
CID 141165462
3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile
CID 61451674
N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine
CID 107913644
N-(3-bromopropyl)-N-methylpentan-3-amine
CID 61286932

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine?
The IUPAC name of ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine (CID 177367560) is ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine.
What is the SMILES notation for ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine?
The canonical SMILES for ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine is CC.CCC(COC)N(C)CP.
What is the InChIKey of ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine?
The InChIKey is BNMCNMJANSZTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NOP.C2H6/c1-4-7(5-9-3)8(2)6-10;1-2/h7H,4-6,10H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine?
ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine has a molecular weight of 193.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine is sourced from PubChem (CID 177367560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).