(2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane

C18H35N3 — CID 142042010

IUPAC(2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane
SMILESC=C/C=C(\C=C/C)C1CCC(N)/C(=C/N)N1C.CC.CC
InChIInChI=1S/C14H23N3.2C2H6/c1-4-6-11(7-5-2)13-9-8-12(16)14(10-15)17(13)3;2*1-2/h4-7,10,12-13H,1,8-9,15-16H2,2-3H3;2*1-2H3/b7-5-,11-6+,14-10-;;
InChIKeyPPNOZBURRYRICN-MGXMOBGWSA-N
MW293.50 g/mol
LogP3.95
Rot. Bonds3

About (2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane

(2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane (PubChem CID 142042010) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is (2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane.

Molecular Properties

Compound Name(2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane
PubChem CID142042010
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name(2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane
SMILESC=C/C=C(\C=C/C)C1CCC(N)/C(=C/N)N1C.CC.CC
InChIInChI=1S/C14H23N3.2C2H6/c1-4-6-11(7-5-2)13-9-8-12(16)14(10-15)17(13)3;2*1-2/h4-7,10,12-13H,1,8-9,15-16H2,2-3H3;2*1-2H3/b7-5-,11-6+,14-10-;;
InChIKeyPPNOZBURRYRICN-MGXMOBGWSA-N
XLogP3.95
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane?
The IUPAC name of (2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane (CID 142042010) is (2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane.
What is the SMILES notation for (2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane?
The canonical SMILES for (2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane is C=C/C=C(\C=C/C)C1CCC(N)/C(=C/N)N1C.CC.CC.
What is the InChIKey of (2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane?
The InChIKey is PPNOZBURRYRICN-MGXMOBGWSA-N. The full InChI is InChI=1S/C14H23N3.2C2H6/c1-4-6-11(7-5-2)13-9-8-12(16)14(10-15)17(13)3;2*1-2/h4-7,10,12-13H,1,8-9,15-16H2,2-3H3;2*1-2H3/b7-5-,11-6+,14-10-;;.
What are the key properties of (2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane?
(2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane has a molecular weight of 293.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane is sourced from PubChem (CID 142042010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).