N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine

C26H39N — CID 89264864

IUPACN-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine
SMILESC=CC(CC=C(C)C)C1=CCC(N(C2C=CCCC2)C2CC=CCC2)CC1
InChIInChI=1S/C26H39N/c1-4-22(16-15-21(2)3)23-17-19-26(20-18-23)27(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h4-5,7,9,13,15,17,22,24-26H,1,6,8,10-12,14,16,18-20H2,2-3H3
InChIKeyKNHSAEFNEKNBSL-UHFFFAOYSA-N
MW365.61 g/mol
LogP7.14
Rot. Bonds7

About N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine

N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine (PubChem CID 89264864) has the molecular formula C26H39N and a molecular weight of 365.61 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine
PubChem CID89264864
Molecular FormulaC26H39N
Molecular Weight365.61 g/mol
Exact Mass365.31
IUPAC NameN-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine
SMILESC=CC(CC=C(C)C)C1=CCC(N(C2C=CCCC2)C2CC=CCC2)CC1
InChIInChI=1S/C26H39N/c1-4-22(16-15-21(2)3)23-17-19-26(20-18-23)27(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h4-5,7,9,13,15,17,22,24-26H,1,6,8,10-12,14,16,18-20H2,2-3H3
InChIKeyKNHSAEFNEKNBSL-UHFFFAOYSA-N
XLogP7.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 57.14
H-Bond Donors ≤ 50
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 N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine?
The IUPAC name of N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine (CID 89264864) is N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine?
The canonical SMILES for N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine is C=CC(CC=C(C)C)C1=CCC(N(C2C=CCCC2)C2CC=CCC2)CC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine?
The InChIKey is KNHSAEFNEKNBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N/c1-4-22(16-15-21(2)3)23-17-19-26(20-18-23)27(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h4-5,7,9,13,15,17,22,24-26H,1,6,8,10-12,14,16,18-20H2,2-3H3.
What are the key properties of N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine?
N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine has a molecular weight of 365.61 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 89264864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).