N,N-dimethyl-3-phosphanyloxybutan-1-amine

C6H16NOP — CID 89417528

IUPACN,N-dimethyl-3-phosphanyloxybutan-1-amine
SMILESCC(CCN(C)C)OP
InChIInChI=1S/C6H16NOP/c1-6(8-9)4-5-7(2)3/h6H,4-5,9H2,1-3H3
InChIKeyKHAWZQUQGMNDLQ-UHFFFAOYSA-N
MW149.17 g/mol
LogP1.13
Rot. Bonds4

About N,N-dimethyl-3-phosphanyloxybutan-1-amine

N,N-dimethyl-3-phosphanyloxybutan-1-amine (PubChem CID 89417528) has the molecular formula C6H16NOP and a molecular weight of 149.17 g/mol. Its IUPAC name is N,N-dimethyl-3-phosphanyloxybutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phosphanyloxybutan-1-amine
PubChem CID89417528
Molecular FormulaC6H16NOP
Molecular Weight149.17 g/mol
Exact Mass149.10
IUPAC NameN,N-dimethyl-3-phosphanyloxybutan-1-amine
SMILESCC(CCN(C)C)OP
InChIInChI=1S/C6H16NOP/c1-6(8-9)4-5-7(2)3/h6H,4-5,9H2,1-3H3
InChIKeyKHAWZQUQGMNDLQ-UHFFFAOYSA-N
XLogP1.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 51.13
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

ethane;3-methoxy-N,N-dimethylbutan-1-amine
CID 144600046
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
3-fluoro-N,N-dimethylbutan-1-amine
CID 142449569
3,5-bis(dimethylamino)pentan-2-ol
CID 57282569
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
2-methoxy-N',N'-dimethylbutane-1,4-diamine
CID 83826305
[4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite
CID 142959678
3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 91045887
1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine
CID 87406982
3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine
CID 88737758
N-(3-methoxybutyl)-N-methylcyclopentanamine
CID 143907308

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phosphanyloxybutan-1-amine?
The IUPAC name of N,N-dimethyl-3-phosphanyloxybutan-1-amine (CID 89417528) is N,N-dimethyl-3-phosphanyloxybutan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phosphanyloxybutan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phosphanyloxybutan-1-amine is CC(CCN(C)C)OP.
What is the InChIKey of N,N-dimethyl-3-phosphanyloxybutan-1-amine?
The InChIKey is KHAWZQUQGMNDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NOP/c1-6(8-9)4-5-7(2)3/h6H,4-5,9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-phosphanyloxybutan-1-amine?
N,N-dimethyl-3-phosphanyloxybutan-1-amine has a molecular weight of 149.17 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phosphanyloxybutan-1-amine is sourced from PubChem (CID 89417528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).