N,1,1-trimethoxypropan-2-amine

C6H15NO3 — CID 82706992

IUPACN,1,1-trimethoxypropan-2-amine
SMILESCONC(C)C(OC)OC
InChIInChI=1S/C6H15NO3/c1-5(7-10-4)6(8-2)9-3/h5-7H,1-4H3
InChIKeyXOFIUFKMIIFNCP-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.14
Rot. Bonds5

About N,1,1-trimethoxypropan-2-amine

N,1,1-trimethoxypropan-2-amine (PubChem CID 82706992) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is N,1,1-trimethoxypropan-2-amine.

Molecular Properties

Compound NameN,1,1-trimethoxypropan-2-amine
PubChem CID82706992
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC NameN,1,1-trimethoxypropan-2-amine
SMILESCONC(C)C(OC)OC
InChIInChI=1S/C6H15NO3/c1-5(7-10-4)6(8-2)9-3/h5-7H,1-4H3
InChIKeyXOFIUFKMIIFNCP-UHFFFAOYSA-N
XLogP0.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethoxy-1-methylethylamine
CID 93658
(2S)-1,1-Diethoxy-2-propanamine
CID 12398111
1,1-Dimethoxybutan-2-amine
CID 22145177
(2R)-1,1-diethoxypropan-2-amine
CID 28743990
1,1-Dimethoxybutan-2-amine hydrochloride
CID 86775568
1,1-Diethoxypropan-2-amine
CID 3016931
(2S)-1,1-dimethoxypropan-2-amine
CID 10866318
(2R)-1,1-dimethoxypropan-2-amine
CID 12707129
1,1-Dimethoxypropan-2-amine;hydrochloride
CID 141204593
1,1-dimethoxy-N-(2,2,2-trifluoroethoxy)propan-2-amine
CID 82711021
N-(2,2-diethoxyethyl)hydroxylamine
CID 13947037
N-(2,2-dimethoxyethyl)hydroxylamine
CID 21318341

Frequently Asked Questions

What is the IUPAC name of N,1,1-trimethoxypropan-2-amine?
The IUPAC name of N,1,1-trimethoxypropan-2-amine (CID 82706992) is N,1,1-trimethoxypropan-2-amine.
What is the SMILES notation for N,1,1-trimethoxypropan-2-amine?
The canonical SMILES for N,1,1-trimethoxypropan-2-amine is CONC(C)C(OC)OC.
What is the InChIKey of N,1,1-trimethoxypropan-2-amine?
The InChIKey is XOFIUFKMIIFNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-5(7-10-4)6(8-2)9-3/h5-7H,1-4H3.
What are the key properties of N,1,1-trimethoxypropan-2-amine?
N,1,1-trimethoxypropan-2-amine has a molecular weight of 149.19 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1-trimethoxypropan-2-amine is sourced from PubChem (CID 82706992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).