ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine

C20H40N2 — CID 144654681

IUPACethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
SMILESC=C/C(CN(C)C1CCC(CC)CC1)=N\C=C/C.CC.CC
InChIInChI=1S/C16H28N2.2C2H6/c1-5-12-17-15(7-3)13-18(4)16-10-8-14(6-2)9-11-16;2*1-2/h5,7,12,14,16H,3,6,8-11,13H2,1-2,4H3;2*1-2H3/b12-5-,17-15+;;
InChIKeyJLFUMJFGRCRELP-PKRDHYBFSA-N
MW308.55 g/mol
LogP6.10
Rot. Bonds6

About ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine

ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine (PubChem CID 144654681) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine.

Molecular Properties

Compound Nameethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
PubChem CID144654681
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Nameethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
SMILESC=C/C(CN(C)C1CCC(CC)CC1)=N\C=C/C.CC.CC
InChIInChI=1S/C16H28N2.2C2H6/c1-5-12-17-15(7-3)13-18(4)16-10-8-14(6-2)9-11-16;2*1-2/h5,7,12,14,16H,3,6,8-11,13H2,1-2,4H3;2*1-2H3/b12-5-,17-15+;;
InChIKeyJLFUMJFGRCRELP-PKRDHYBFSA-N
XLogP6.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

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
N-(2-ethylhexyl)-1-[12-[4-(2-ethylhexylimino)-1-pyridinyl]dodecyl]pyridin-4-imine
CID 13408504
N-(2-ethylhexyl)-1-octylpyridin-4-imine
CID 14198642

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine?
The IUPAC name of ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine (CID 144654681) is ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine.
What is the SMILES notation for ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine?
The canonical SMILES for ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine is C=C/C(CN(C)C1CCC(CC)CC1)=N\C=C/C.CC.CC.
What is the InChIKey of ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine?
The InChIKey is JLFUMJFGRCRELP-PKRDHYBFSA-N. The full InChI is InChI=1S/C16H28N2.2C2H6/c1-5-12-17-15(7-3)13-18(4)16-10-8-14(6-2)9-11-16;2*1-2/h5,7,12,14,16H,3,6,8-11,13H2,1-2,4H3;2*1-2H3/b12-5-,17-15+;;.
What are the key properties of ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine?
ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine has a molecular weight of 308.55 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine is sourced from PubChem (CID 144654681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).