3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine

C8H14N2 — CID 129313479

IUPAC3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine
SMILES[H]/N=C(\CNCC)CC1C=C1
InChIInChI=1S/C8H14N2/c1-2-10-6-8(9)5-7-3-4-7/h3-4,7,9-10H,2,5-6H2,1H3/b9-8-
InChIKeySDCLSNXRBVTGHD-HJWRWDBZSA-N
MW138.21 g/mol
LogP1.19
Rot. Bonds5

About 3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine

3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine (PubChem CID 129313479) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine.

Molecular Properties

Compound Name3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine
PubChem CID129313479
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine
SMILES[H]/N=C(\CNCC)CC1C=C1
InChIInChI=1S/C8H14N2/c1-2-10-6-8(9)5-7-3-4-7/h3-4,7,9-10H,2,5-6H2,1H3/b9-8-
InChIKeySDCLSNXRBVTGHD-HJWRWDBZSA-N
XLogP1.19
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine?
The IUPAC name of 3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine (CID 129313479) is 3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine.
What is the SMILES notation for 3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine?
The canonical SMILES for 3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine is [H]/N=C(\CNCC)CC1C=C1.
What is the InChIKey of 3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine?
The InChIKey is SDCLSNXRBVTGHD-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-10-6-8(9)5-7-3-4-7/h3-4,7,9-10H,2,5-6H2,1H3/b9-8-.
What are the key properties of 3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine?
3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloprop-2-en-1-yl-N-ethyl-2-iminopropan-1-amine is sourced from PubChem (CID 129313479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).