N-cyclopentyloxy-1,1-dimethoxypropan-2-amine

C10H21NO3 — CID 83228340

IUPACN-cyclopentyloxy-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(C)NOC1CCCC1
InChIInChI=1S/C10H21NO3/c1-8(10(12-2)13-3)11-14-9-6-4-5-7-9/h8-11H,4-7H2,1-3H3
InChIKeyMRVWTEXKJCWVQB-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.46
Rot. Bonds6

About N-cyclopentyloxy-1,1-dimethoxypropan-2-amine

N-cyclopentyloxy-1,1-dimethoxypropan-2-amine (PubChem CID 83228340) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-cyclopentyloxy-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound NameN-cyclopentyloxy-1,1-dimethoxypropan-2-amine
PubChem CID83228340
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-cyclopentyloxy-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(C)NOC1CCCC1
InChIInChI=1S/C10H21NO3/c1-8(10(12-2)13-3)11-14-9-6-4-5-7-9/h8-11H,4-7H2,1-3H3
InChIKeyMRVWTEXKJCWVQB-UHFFFAOYSA-N
XLogP1.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.46
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1,1-dimethoxypropan-2-amine?
The IUPAC name of N-cyclopentyloxy-1,1-dimethoxypropan-2-amine (CID 83228340) is N-cyclopentyloxy-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for N-cyclopentyloxy-1,1-dimethoxypropan-2-amine?
The canonical SMILES for N-cyclopentyloxy-1,1-dimethoxypropan-2-amine is COC(OC)C(C)NOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-1,1-dimethoxypropan-2-amine?
The InChIKey is MRVWTEXKJCWVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(10(12-2)13-3)11-14-9-6-4-5-7-9/h8-11H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyloxy-1,1-dimethoxypropan-2-amine?
N-cyclopentyloxy-1,1-dimethoxypropan-2-amine has a molecular weight of 203.28 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 83228340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).