N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine

C12H25NO2 — CID 115707824

IUPACN-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCCCOCC1CC1
InChIInChI=1S/C12H25NO2/c1-3-14-9-11(2)13-7-4-8-15-10-12-5-6-12/h11-13H,3-10H2,1-2H3
InChIKeyWPSSMPQOHMYHGK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds10

About N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine

N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine (PubChem CID 115707824) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine
PubChem CID115707824
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCCCOCC1CC1
InChIInChI=1S/C12H25NO2/c1-3-14-9-11(2)13-7-4-8-15-10-12-5-6-12/h11-13H,3-10H2,1-2H3
InChIKeyWPSSMPQOHMYHGK-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]butan-2-amine
CID 43206788
N-[3-(cyclopropylmethoxy)propyl]hexan-2-amine
CID 43770778
1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069
N-(3-ethoxypropyl)butan-2-amine
CID 43196213
N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine
CID 103920888
tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
CID 103387621
3-(cyclopropylmethoxy)-N-methylpropan-1-amine
CID 60697422
1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
CID 43183021
methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate
CID 115352329

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine (CID 115707824) is N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine is CCOCC(C)NCCCOCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine?
The InChIKey is WPSSMPQOHMYHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-14-9-11(2)13-7-4-8-15-10-12-5-6-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine?
N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 115707824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).