(2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine

C16H19N — CID 126547278

IUPAC(2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine
SMILESC#CCN(CC#C)C1CCC(=C/C=C)/C1=C\C
InChIInChI=1S/C16H19N/c1-5-9-14-10-11-16(15(14)8-4)17(12-6-2)13-7-3/h2-3,5,8-9,16H,1,10-13H2,4H3/b14-9-,15-8+
InChIKeyPPRSEHYHJCPARR-GFFSLUEMSA-N
MW225.33 g/mol
LogP2.78
Rot. Bonds4

About (2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine

(2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine (PubChem CID 126547278) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine
PubChem CID126547278
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name(2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine
SMILESC#CCN(CC#C)C1CCC(=C/C=C)/C1=C\C
InChIInChI=1S/C16H19N/c1-5-9-14-10-11-16(15(14)8-4)17(12-6-2)13-7-3/h2-3,5,8-9,16H,1,10-13H2,4H3/b14-9-,15-8+
InChIKeyPPRSEHYHJCPARR-GFFSLUEMSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine?
The IUPAC name of (2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine (CID 126547278) is (2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine.
What is the SMILES notation for (2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine?
The canonical SMILES for (2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine is C#CCN(CC#C)C1CCC(=C/C=C)/C1=C\C.
What is the InChIKey of (2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine?
The InChIKey is PPRSEHYHJCPARR-GFFSLUEMSA-N. The full InChI is InChI=1S/C16H19N/c1-5-9-14-10-11-16(15(14)8-4)17(12-6-2)13-7-3/h2-3,5,8-9,16H,1,10-13H2,4H3/b14-9-,15-8+.
What are the key properties of (2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine?
(2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-3-prop-2-enylidene-N,N-bis(prop-2-ynyl)cyclopentan-1-amine is sourced from PubChem (CID 126547278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).