N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine

C22H30N2 — CID 23015761

IUPACN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine
SMILESCC(C)(C)C1=C(c2ccccc2/C=N/NC2CCCCC2)CC=C1
InChIInChI=1S/C22H30N2/c1-22(2,3)21-15-9-14-20(21)19-13-8-7-10-17(19)16-23-24-18-11-5-4-6-12-18/h7-10,13,15-16,18,24H,4-6,11-12,14H2,1-3H3/b23-16+
InChIKeyZPNVDPXQJXHSPI-XQNSMLJCSA-N
MW322.50 g/mol
LogP5.70
Rot. Bonds4

About N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine

N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine (PubChem CID 23015761) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine
PubChem CID23015761
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC NameN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine
SMILESCC(C)(C)C1=C(c2ccccc2/C=N/NC2CCCCC2)CC=C1
InChIInChI=1S/C22H30N2/c1-22(2,3)21-15-9-14-20(21)19-13-8-7-10-17(19)16-23-24-18-11-5-4-6-12-18/h7-10,13,15-16,18,24H,4-6,11-12,14H2,1-3H3/b23-16+
InChIKeyZPNVDPXQJXHSPI-XQNSMLJCSA-N
XLogP5.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
CID 23015524
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016141
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 23015554
N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine
CID 141067374
N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)phenyl]methylideneamino]cyclohexanamine
CID 141067325
N-[(E)-pyren-1-ylmethylideneamino]cyclohexanamine
CID 20816730
3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine
CID 141294405
(3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid
CID 155519580
N-(4-tert-butylphenyl)cyclooctanamine
CID 28526641
N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
CID 94846855
1-cyclohexyl-3-[(E)-(2-nitrophenyl)methylideneamino]thiourea
CID 6904278
1-cyclohexyl-3-[(Z)-(2-heptoxyphenyl)methylideneamino]thiourea
CID 110534061

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine?
The IUPAC name of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine (CID 23015761) is N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine.
What is the SMILES notation for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine?
The canonical SMILES for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine is CC(C)(C)C1=C(c2ccccc2/C=N/NC2CCCCC2)CC=C1.
What is the InChIKey of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine?
The InChIKey is ZPNVDPXQJXHSPI-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H30N2/c1-22(2,3)21-15-9-14-20(21)19-13-8-7-10-17(19)16-23-24-18-11-5-4-6-12-18/h7-10,13,15-16,18,24H,4-6,11-12,14H2,1-3H3/b23-16+.
What are the key properties of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine?
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine has a molecular weight of 322.50 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine is sourced from PubChem (CID 23015761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).