Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate

Name: Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₃₂N₂O₂ — CID 63906340

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate

SMILESCCCCN(CC)CC(NCCC)(C(=O)OC)C1CC1

InChIInChI=1S/C16H32N2O2/c1-5-8-12-18(7-3)13-16(14-9-10-14,15(19)20-4)17-11-6-2/h14,17H,5-13H2,1-4H3

InChIKeyBIVVPHOBZXNDMW-UHFFFAOYSA-N

MW284.44 g/mol

LogP2.43

Rot. Bonds11

About Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate

Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate (PubChem CID 63906340) has the molecular formula C₁₆H₃₂N₂O₂ and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate.

Molecular Properties

Compound Name	Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
PubChem CID	63906340
Molecular Formula	C₁₆H₃₂N₂O₂
Molecular Weight	284.44 g/mol
Exact Mass	284.25
IUPAC Name	methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
SMILES	CCCCN(CC)CC(NCCC)(C(=O)OC)C1CC1
InChI	InChI=1S/C16H32N2O2/c1-5-8-12-18(7-3)13-16(14-9-10-14,15(19)20-4)17-11-6-2/h14,17H,5-13H2,1-4H3
InChIKey	BIVVPHOBZXNDMW-UHFFFAOYSA-N
XLogP	2.43
TPSA	41.57 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	11
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.44
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?

The IUPAC name of Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate (CID 63906340) is methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate.

What is the SMILES notation for Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?

The canonical SMILES for Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate is CCCCN(CC)CC(NCCC)(C(=O)OC)C1CC1.

What is the InChIKey of Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?

The InChIKey is BIVVPHOBZXNDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-8-12-18(7-3)13-16(14-9-10-14,15(19)20-4)17-11-6-2/h14,17H,5-13H2,1-4H3.

What are the key properties of Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?

Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate is sourced from PubChem (CID 63906340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 63906340 — identifiers, structure, computed properties (public domain)

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