3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine

C9H20ClNO — CID 88737758

IUPAC3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COC(Cl)CCN(C)C
InChIInChI=1S/C9H20ClNO/c1-8(2)7-12-9(10)5-6-11(3)4/h8-9H,5-7H2,1-4H3
InChIKeyNXRGSEUBQBUKNJ-UHFFFAOYSA-N
MW193.72 g/mol
LogP2.18
Rot. Bonds6

About 3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine

3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine (PubChem CID 88737758) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine
PubChem CID88737758
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COC(Cl)CCN(C)C
InChIInChI=1S/C9H20ClNO/c1-8(2)7-12-9(10)5-6-11(3)4/h8-9H,5-7H2,1-4H3
InChIKeyNXRGSEUBQBUKNJ-UHFFFAOYSA-N
XLogP2.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine
CID 88634228
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine
CID 115346211
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
ethane;3-methoxy-N,N-dimethylbutan-1-amine
CID 144600046
N,N-dimethyl-3-phosphanyloxybutan-1-amine
CID 89417528
3-fluoro-N,N-dimethylbutan-1-amine
CID 142449569
3,5-bis(dimethylamino)pentan-2-ol
CID 57282569
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
4-(dimethylamino)-1-methoxybutan-2-ol
CID 115345876

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of 3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine (CID 88737758) is 3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for 3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for 3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine is CC(C)COC(Cl)CCN(C)C.
What is the InChIKey of 3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is NXRGSEUBQBUKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO/c1-8(2)7-12-9(10)5-6-11(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine?
3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 193.72 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 88737758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).