N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane

C21H42N2 — CID 144734987

IUPACN,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane
SMILESC=C/C(CN(C)C1CCC(C)CC1)=N\C=C/C.CC.CC(C)C
InChIInChI=1S/C15H26N2.C4H10.C2H6/c1-5-11-16-14(6-2)12-17(4)15-9-7-13(3)8-10-15;1-4(2)3;1-2/h5-6,11,13,15H,2,7-10,12H2,1,3-4H3;4H,1-3H3;1-2H3/b11-5-,16-14+;;
InChIKeyZORMRBSFLYBCDC-WJPLZXOPSA-N
MW322.58 g/mol
LogP6.35
Rot. Bonds5

About N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane

N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane (PubChem CID 144734987) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane
PubChem CID144734987
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC NameN,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane
SMILESC=C/C(CN(C)C1CCC(C)CC1)=N\C=C/C.CC.CC(C)C
InChIInChI=1S/C15H26N2.C4H10.C2H6/c1-5-11-16-14(6-2)12-17(4)15-9-7-13(3)8-10-15;1-4(2)3;1-2/h5-6,11,13,15H,2,7-10,12H2,1,3-4H3;4H,1-3H3;1-2H3/b11-5-,16-14+;;
InChIKeyZORMRBSFLYBCDC-WJPLZXOPSA-N
XLogP6.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane with MolForge

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Related Compounds

N-(2-ethylhexyl)-1-[4-[4-(2-ethylhexylimino)-1-pyridinyl]butyl]pyridin-4-imine;dihydrobromide
CID 13408491
N-(2-ethylhexyl)-1-[5-[4-(2-ethylhexylimino)-1-pyridinyl]pentyl]pyridin-4-imine;dihydrobromide
CID 13408493
N-(2-ethylhexyl)-1-octylpyridin-4-imine;hydrobromide
CID 14198643
1-(2-ethylhexyl)-N-octylpyridin-4-imine;hydrobromide
CID 14198656
N,1-bis(2-ethylhexyl)pyridin-4-imine;hydrobromide
CID 14198658
N-(2-ethylhexyl)-1-[4-[4-(2-ethylhexylimino)-1-pyridinyl]butyl]pyridin-4-imine
CID 13408490
N-(2-ethylhexyl)-1-[5-[4-(2-ethylhexylimino)-1-pyridinyl]pentyl]pyridin-4-imine
CID 13408492
N-(2-ethylhexyl)-1-[6-[4-(2-ethylhexylimino)-1-pyridinyl]hexyl]pyridin-4-imine
CID 13408494
N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine
CID 13408496
N-(2-ethylhexyl)-1-[8-[4-(2-ethylhexylimino)-1-pyridinyl]octyl]pyridin-4-imine
CID 13408498
N-(2-ethylhexyl)-1-[9-[4-(2-ethylhexylimino)-1-pyridinyl]nonyl]pyridin-4-imine
CID 13408500
N-(2-ethylhexyl)-1-[10-[4-(2-ethylhexylimino)-1-pyridinyl]decyl]pyridin-4-imine
CID 13408502

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane?
The IUPAC name of N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane (CID 144734987) is N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane.
What is the SMILES notation for N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane?
The canonical SMILES for N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane is C=C/C(CN(C)C1CCC(C)CC1)=N\C=C/C.CC.CC(C)C.
What is the InChIKey of N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane?
The InChIKey is ZORMRBSFLYBCDC-WJPLZXOPSA-N. The full InChI is InChI=1S/C15H26N2.C4H10.C2H6/c1-5-11-16-14(6-2)12-17(4)15-9-7-13(3)8-10-15;1-4(2)3;1-2/h5-6,11,13,15H,2,7-10,12H2,1,3-4H3;4H,1-3H3;1-2H3/b11-5-,16-14+;;.
What are the key properties of N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane?
N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane has a molecular weight of 322.58 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane is sourced from PubChem (CID 144734987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).