N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine

C22H29N — CID 101070333

IUPACN-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine
SMILESCc1cc(/C=N/C2CCCCC2)c2c(C)ccc(C(C)C)cc1-2
InChIInChI=1S/C22H29N/c1-15(2)18-11-10-16(3)22-19(12-17(4)21(22)13-18)14-23-20-8-6-5-7-9-20/h10-15,20H,5-9H2,1-4H3/b23-14+
InChIKeyUIRCEFCDABNBMN-OEAKJJBVSA-N
MW307.48 g/mol
LogP6.28
Rot. Bonds3

About N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine

N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine (PubChem CID 101070333) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine
PubChem CID101070333
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC NameN-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine
SMILESCc1cc(/C=N/C2CCCCC2)c2c(C)ccc(C(C)C)cc1-2
InChIInChI=1S/C22H29N/c1-15(2)18-11-10-16(3)22-19(12-17(4)21(22)13-18)14-23-20-8-6-5-7-9-20/h10-15,20H,5-9H2,1-4H3/b23-14+
InChIKeyUIRCEFCDABNBMN-OEAKJJBVSA-N
XLogP6.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-[4-[(E)-2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)ethenyl]phenyl]ethenyl]-1,4-dimethyl-7-propan-2-ylazulene
CID 132556497
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
(2E,4E)-5-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-3-methylpenta-2,4-dienal
CID 23257836
5-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-3-methylpenta-2,4-dienal
CID 74036488
2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane
CID 170874182
2-[[3-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-propan-2-ylphenol
CID 137030199
4-chloro-2-(cyclohexyliminomethyl)aniline
CID 71444864
N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine
CID 122545420
5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 100938999
N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide
CID 61361536
zinc bis(2-(cyclohexyliminomethyl)phenolate)
CID 139067866

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine?
The IUPAC name of N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine (CID 101070333) is N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine.
What is the SMILES notation for N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine?
The canonical SMILES for N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine is Cc1cc(/C=N/C2CCCCC2)c2c(C)ccc(C(C)C)cc1-2.
What is the InChIKey of N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine?
The InChIKey is UIRCEFCDABNBMN-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H29N/c1-15(2)18-11-10-16(3)22-19(12-17(4)21(22)13-18)14-23-20-8-6-5-7-9-20/h10-15,20H,5-9H2,1-4H3/b23-14+.
What are the key properties of N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine?
N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine has a molecular weight of 307.48 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methanimine is sourced from PubChem (CID 101070333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).