N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine

C18H29N5 — CID 145287984

IUPACN-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine
SMILESC=N/C(NC1CCCCC1)=C(\C=N/CNCC)C1=CCCC=N1
InChIInChI=1S/C18H29N5/c1-3-20-14-21-13-16(17-11-7-8-12-22-17)18(19-2)23-15-9-5-4-6-10-15/h11-13,15,20,23H,2-10,14H2,1H3/b18-16-,21-13-
InChIKeyCAYJOOCTBYLRPQ-ZDLDYDIASA-N
MW315.47 g/mol
LogP3.21
Rot. Bonds8

About N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine

N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine (PubChem CID 145287984) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine
PubChem CID145287984
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC NameN-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine
SMILESC=N/C(NC1CCCCC1)=C(\C=N/CNCC)C1=CCCC=N1
InChIInChI=1S/C18H29N5/c1-3-20-14-21-13-16(17-11-7-8-12-22-17)18(19-2)23-15-9-5-4-6-10-15/h11-13,15,20,23H,2-10,14H2,1H3/b18-16-,21-13-
InChIKeyCAYJOOCTBYLRPQ-ZDLDYDIASA-N
XLogP3.21
TPSA61.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine?
The IUPAC name of N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine (CID 145287984) is N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine.
What is the SMILES notation for N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine?
The canonical SMILES for N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine is C=N/C(NC1CCCCC1)=C(\C=N/CNCC)C1=CCCC=N1.
What is the InChIKey of N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine?
The InChIKey is CAYJOOCTBYLRPQ-ZDLDYDIASA-N. The full InChI is InChI=1S/C18H29N5/c1-3-20-14-21-13-16(17-11-7-8-12-22-17)18(19-2)23-15-9-5-4-6-10-15/h11-13,15,20,23H,2-10,14H2,1H3/b18-16-,21-13-.
What are the key properties of N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine?
N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine has a molecular weight of 315.47 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine is sourced from PubChem (CID 145287984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).