N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine

C23H41N3 — CID 142954096

IUPACN-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine
SMILESC=C/N=C(C)/C(C)=C\C.CC.CC(NC1CCCCC1)C1C=CC=CN1
InChIInChI=1S/C13H22N2.C8H13N.C2H6/c1-11(13-9-5-6-10-14-13)15-12-7-3-2-4-8-12;1-5-7(3)8(4)9-6-2;1-2/h5-6,9-15H,2-4,7-8H2,1H3;5-6H,2H2,1,3-4H3;1-2H3/b;7-5-,9-8+;
InChIKeyYZEZKHWYQIEZOL-NZUSJIMXSA-N
MW359.60 g/mol
LogP5.92
Rot. Bonds5

About N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine

N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine (PubChem CID 142954096) has the molecular formula C23H41N3 and a molecular weight of 359.60 g/mol. Its IUPAC name is N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine.

Molecular Properties

Compound NameN-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine
PubChem CID142954096
Molecular FormulaC23H41N3
Molecular Weight359.60 g/mol
Exact Mass359.33
IUPAC NameN-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine
SMILESC=C/N=C(C)/C(C)=C\C.CC.CC(NC1CCCCC1)C1C=CC=CN1
InChIInChI=1S/C13H22N2.C8H13N.C2H6/c1-11(13-9-5-6-10-14-13)15-12-7-3-2-4-8-12;1-5-7(3)8(4)9-6-2;1-2/h5-6,9-15H,2-4,7-8H2,1H3;5-6H,2H2,1,3-4H3;1-2H3/b;7-5-,9-8+;
InChIKeyYZEZKHWYQIEZOL-NZUSJIMXSA-N
XLogP5.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine?
The IUPAC name of N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine (CID 142954096) is N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine.
What is the SMILES notation for N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine?
The canonical SMILES for N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine is C=C/N=C(C)/C(C)=C\C.CC.CC(NC1CCCCC1)C1C=CC=CN1.
What is the InChIKey of N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine?
The InChIKey is YZEZKHWYQIEZOL-NZUSJIMXSA-N. The full InChI is InChI=1S/C13H22N2.C8H13N.C2H6/c1-11(13-9-5-6-10-14-13)15-12-7-3-2-4-8-12;1-5-7(3)8(4)9-6-2;1-2/h5-6,9-15H,2-4,7-8H2,1H3;5-6H,2H2,1,3-4H3;1-2H3/b;7-5-,9-8+;.
What are the key properties of N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine?
N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine has a molecular weight of 359.60 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine is sourced from PubChem (CID 142954096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).