(Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine

C22H35N — CID 71260033

IUPAC(Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine
SMILESC/C=C(/C1CC=C(C2=CC=C(C)CC2)CC1)C(C)C(N)C(C)C
InChIInChI=1S/C22H35N/c1-6-21(17(5)22(23)15(2)3)20-13-11-19(12-14-20)18-9-7-16(4)8-10-18/h6-7,9,11,15,17,20,22H,8,10,12-14,23H2,1-5H3/b21-6+
InChIKeyQPPHYZLQHMMMGH-AERZKKPOSA-N
MW313.53 g/mol
LogP5.95
Rot. Bonds5

About (Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine

(Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine (PubChem CID 71260033) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is (Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine.

Molecular Properties

Compound Name(Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine
PubChem CID71260033
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name(Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine
SMILESC/C=C(/C1CC=C(C2=CC=C(C)CC2)CC1)C(C)C(N)C(C)C
InChIInChI=1S/C22H35N/c1-6-21(17(5)22(23)15(2)3)20-13-11-19(12-14-20)18-9-7-16(4)8-10-18/h6-7,9,11,15,17,20,22H,8,10,12-14,23H2,1-5H3/b21-6+
InChIKeyQPPHYZLQHMMMGH-AERZKKPOSA-N
XLogP5.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.95
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 (Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine?
The IUPAC name of (Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine (CID 71260033) is (Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine.
What is the SMILES notation for (Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine?
The canonical SMILES for (Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine is C/C=C(/C1CC=C(C2=CC=C(C)CC2)CC1)C(C)C(N)C(C)C.
What is the InChIKey of (Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine?
The InChIKey is QPPHYZLQHMMMGH-AERZKKPOSA-N. The full InChI is InChI=1S/C22H35N/c1-6-21(17(5)22(23)15(2)3)20-13-11-19(12-14-20)18-9-7-16(4)8-10-18/h6-7,9,11,15,17,20,22H,8,10,12-14,23H2,1-5H3/b21-6+.
What are the key properties of (Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine?
(Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine has a molecular weight of 313.53 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4-dimethyl-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohex-3-en-1-yl]hept-5-en-3-amine is sourced from PubChem (CID 71260033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).