N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine

C14H26N2 — CID 123546983

IUPACN-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine
SMILESC=NN=C(C)CCC1C(C)CCCC1(C)C
InChIInChI=1S/C14H26N2/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)16-15-5/h11,13H,5-10H2,1-4H3
InChIKeyZQGUNVHTPHYGNO-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.31
Rot. Bonds4

About N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine

N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine (PubChem CID 123546983) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine.

Molecular Properties

Compound NameN-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine
PubChem CID123546983
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine
SMILESC=NN=C(C)CCC1C(C)CCCC1(C)C
InChIInChI=1S/C14H26N2/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)16-15-5/h11,13H,5-10H2,1-4H3
InChIKeyZQGUNVHTPHYGNO-UHFFFAOYSA-N
XLogP4.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
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-[(Z)-[(2R,4S)-4-tert-butyl-2-methylcyclohexylidene]amino]-N-methylmethanamine
CID 21723516
3,4,4-trimethyl-5,6,7,8-tetrahydro-4aH-cinnoline
CID 134896374
Cyclohexanone, 4-(1,1-dimethylethyl)-, hydrazone
CID 13974063
N-[(E)-(4-tert-butyl-2-methylcyclohexylidene)amino]-N-methylmethanamine
CID 12469019
4,5-ditert-butyl-3a,5-dimethyl-6,7-dihydro-4H-indazole
CID 59741082
5-tert-butyl-4-ethyl-3a,5-dimethyl-6,7-dihydro-4H-indazole
CID 68402263
4,5-diethyl-3a,5-dimethyl-6,7-dihydro-4H-indazole
CID 68402527
N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine
CID 166932990
N,3,4,4-tetramethylcyclohexan-1-imine
CID 168247395
4-ethyl-N,3,4-trimethylcyclohexan-1-imine
CID 168247795
(Z)-4-(2,2,6-trimethylcyclohexyl)butan-2-ylidenehydrazine
CID 172933424
N-[(E)-[(2R,4S)-4-tert-butyl-2-methylcyclohexylidene]amino]-N-methylmethanamine
CID 12469021

Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine?
The IUPAC name of N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine (CID 123546983) is N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine.
What is the SMILES notation for N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine?
The canonical SMILES for N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine is C=NN=C(C)CCC1C(C)CCCC1(C)C.
What is the InChIKey of N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine?
The InChIKey is ZQGUNVHTPHYGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)16-15-5/h11,13H,5-10H2,1-4H3.
What are the key properties of N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine?
N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine has a molecular weight of 222.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)-4-(2,2,6-trimethylcyclohexyl)butan-2-imine is sourced from PubChem (CID 123546983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).