3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine

C18H25N — CID 163963558

IUPAC3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine
SMILESCC1C=C(C2CC=CCC2)C=CC1C1C=C(N)CC1
InChIInChI=1S/C18H25N/c1-13-11-15(14-5-3-2-4-6-14)8-10-18(13)16-7-9-17(19)12-16/h2-3,8,10-14,16,18H,4-7,9,19H2,1H3
InChIKeySJQGSFDTVMNNCJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.34
Rot. Bonds2

About 3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine

3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine (PubChem CID 163963558) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine.

Molecular Properties

Compound Name3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine
PubChem CID163963558
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine
SMILESCC1C=C(C2CC=CCC2)C=CC1C1C=C(N)CC1
InChIInChI=1S/C18H25N/c1-13-11-15(14-5-3-2-4-6-14)8-10-18(13)16-7-9-17(19)12-16/h2-3,8,10-14,16,18H,4-7,9,19H2,1H3
InChIKeySJQGSFDTVMNNCJ-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine?
The IUPAC name of 3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine (CID 163963558) is 3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine.
What is the SMILES notation for 3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine?
The canonical SMILES for 3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine is CC1C=C(C2CC=CCC2)C=CC1C1C=C(N)CC1.
What is the InChIKey of 3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine?
The InChIKey is SJQGSFDTVMNNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-13-11-15(14-5-3-2-4-6-14)8-10-18(13)16-7-9-17(19)12-16/h2-3,8,10-14,16,18H,4-7,9,19H2,1H3.
What are the key properties of 3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine?
3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine has a molecular weight of 255.40 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohex-3-en-1-yl-6-methylcyclohexa-2,4-dien-1-yl)cyclopenten-1-amine is sourced from PubChem (CID 163963558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).