1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine

C10H23NO3 — CID 104759381

IUPAC1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
SMILESCOC(OC)C(C)NCCOC(C)C
InChIInChI=1S/C10H23NO3/c1-8(2)14-7-6-11-9(3)10(12-4)13-5/h8-11H,6-7H2,1-5H3
InChIKeySELARIDWCMTAEI-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.01
Rot. Bonds8

About 1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine

1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine (PubChem CID 104759381) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
PubChem CID104759381
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
SMILESCOC(OC)C(C)NCCOC(C)C
InChIInChI=1S/C10H23NO3/c1-8(2)14-7-6-11-9(3)10(12-4)13-5/h8-11H,6-7H2,1-5H3
InChIKeySELARIDWCMTAEI-UHFFFAOYSA-N
XLogP1.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 102870034
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol
CID 106309355
1,1-dimethoxy-N-(methoxymethyl)propan-2-amine
CID 91575191
N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 106675441
4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
CID 104584741
1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 65025563
1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine
CID 107859361
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-(2-propan-2-yloxyethyl)butan-2-amine
CID 95285990
5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
CID 106158376
2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol
CID 104759401

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine?
The IUPAC name of 1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine (CID 104759381) is 1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine is COC(OC)C(C)NCCOC(C)C.
What is the InChIKey of 1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine?
The InChIKey is SELARIDWCMTAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-8(2)14-7-6-11-9(3)10(12-4)13-5/h8-11H,6-7H2,1-5H3.
What are the key properties of 1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine?
1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine is sourced from PubChem (CID 104759381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).