1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine

C15H27N — CID 118396529

IUPAC1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine
SMILES[H]/N=C(\C)CC1C=C1CCC(CC)CCCC
InChIInChI=1S/C15H27N/c1-4-6-7-13(5-2)8-9-14-11-15(14)10-12(3)16/h11,13,15-16H,4-10H2,1-3H3/b16-12+
InChIKeyQHXNOAUFARQPIU-FOWTUZBSSA-N
MW221.39 g/mol
LogP4.97
Rot. Bonds9

About 1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine

1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine (PubChem CID 118396529) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine.

Molecular Properties

Compound Name1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine
PubChem CID118396529
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine
SMILES[H]/N=C(\C)CC1C=C1CCC(CC)CCCC
InChIInChI=1S/C15H27N/c1-4-6-7-13(5-2)8-9-14-11-15(14)10-12(3)16/h11,13,15-16H,4-10H2,1-3H3/b16-12+
InChIKeyQHXNOAUFARQPIU-FOWTUZBSSA-N
XLogP4.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine?
The IUPAC name of 1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine (CID 118396529) is 1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine.
What is the SMILES notation for 1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine?
The canonical SMILES for 1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine is [H]/N=C(\C)CC1C=C1CCC(CC)CCCC.
What is the InChIKey of 1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine?
The InChIKey is QHXNOAUFARQPIU-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H27N/c1-4-6-7-13(5-2)8-9-14-11-15(14)10-12(3)16/h11,13,15-16H,4-10H2,1-3H3/b16-12+.
What are the key properties of 1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine?
1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine has a molecular weight of 221.39 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine is sourced from PubChem (CID 118396529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).