N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine

C12H23NO — CID 43362800

IUPACN-(dicyclopropylmethyl)-3-ethoxypropan-1-amine
SMILESCCOCCCNC(C1CC1)C1CC1
InChIInChI=1S/C12H23NO/c1-2-14-9-3-8-13-12(10-4-5-10)11-6-7-11/h10-13H,2-9H2,1H3
InChIKeyXUPRHGBTKIKWLD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds8

About N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine

N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine (PubChem CID 43362800) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-ethoxypropan-1-amine
PubChem CID43362800
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(dicyclopropylmethyl)-3-ethoxypropan-1-amine
SMILESCCOCCCNC(C1CC1)C1CC1
InChIInChI=1S/C12H23NO/c1-2-14-9-3-8-13-12(10-4-5-10)11-6-7-11/h10-13H,2-9H2,1H3
InChIKeyXUPRHGBTKIKWLD-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine?
The IUPAC name of N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine (CID 43362800) is N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine is CCOCCCNC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine?
The InChIKey is XUPRHGBTKIKWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-14-9-3-8-13-12(10-4-5-10)11-6-7-11/h10-13H,2-9H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine?
N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-ethoxypropan-1-amine is sourced from PubChem (CID 43362800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).