1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene

C16H25N — CID 123837778

IUPAC1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene
SMILESCC=CC1=C=C(C)N(C2CC2)CCCC1CC
InChIInChI=1S/C16H25N/c1-4-7-15-12-13(3)17(16-9-10-16)11-6-8-14(15)5-2/h4,7,14,16H,5-6,8-11H2,1-3H3
InChIKeyOWYBUKNDWAJFCX-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.28
Rot. Bonds3

About 1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene

1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene (PubChem CID 123837778) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene.

Molecular Properties

Compound Name1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene
PubChem CID123837778
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene
SMILESCC=CC1=C=C(C)N(C2CC2)CCCC1CC
InChIInChI=1S/C16H25N/c1-4-7-15-12-13(3)17(16-9-10-16)11-6-8-14(15)5-2/h4,7,14,16H,5-6,8-11H2,1-3H3
InChIKeyOWYBUKNDWAJFCX-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene?
The IUPAC name of 1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene (CID 123837778) is 1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene.
What is the SMILES notation for 1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene?
The canonical SMILES for 1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene is CC=CC1=C=C(C)N(C2CC2)CCCC1CC.
What is the InChIKey of 1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene?
The InChIKey is OWYBUKNDWAJFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-7-15-12-13(3)17(16-9-10-16)11-6-8-14(15)5-2/h4,7,14,16H,5-6,8-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene?
1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene has a molecular weight of 231.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-ethyl-2-methyl-4-prop-1-enyl-1-azacycloocta-2,3-diene is sourced from PubChem (CID 123837778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).