3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine

C10H21NO2 — CID 43180080

IUPAC3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCOCCCNCC1CCCO1
InChIInChI=1S/C10H21NO2/c1-2-12-7-4-6-11-9-10-5-3-8-13-10/h10-11H,2-9H2,1H3
InChIKeyNXHXBRKVPXGFKF-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds7

About 3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine

3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 43180080) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID43180080
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCOCCCNCC1CCCO1
InChIInChI=1S/C10H21NO2/c1-2-12-7-4-6-11-9-10-5-3-8-13-10/h10-11H,2-9H2,1H3
InChIKeyNXHXBRKVPXGFKF-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
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

3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 103208032
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
3-ethoxy-N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 106495895
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 55088682
3-ethenoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 78914606
3-ethoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]propan-1-amine
CID 106513636
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine (CID 43180080) is 3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine is CCOCCCNCC1CCCO1.
What is the InChIKey of 3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is NXHXBRKVPXGFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-12-7-4-6-11-9-10-5-3-8-13-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine?
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 43180080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).