(1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine

C14H24N2 — CID 146276261

IUPAC(1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine
SMILESC=CN/C=C(/C)C(=C)NC1CCC(CC)C1
InChIInChI=1S/C14H24N2/c1-5-13-7-8-14(9-13)16-12(4)11(3)10-15-6-2/h6,10,13-16H,2,4-5,7-9H2,1,3H3/b11-10-
InChIKeyUJVOSLGEXSLVQO-KHPPLWFESA-N
MW220.36 g/mol
LogP3.31
Rot. Bonds6

About (1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine

(1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine (PubChem CID 146276261) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine
PubChem CID146276261
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine
SMILESC=CN/C=C(/C)C(=C)NC1CCC(CC)C1
InChIInChI=1S/C14H24N2/c1-5-13-7-8-14(9-13)16-12(4)11(3)10-15-6-2/h6,10,13-16H,2,4-5,7-9H2,1,3H3/b11-10-
InChIKeyUJVOSLGEXSLVQO-KHPPLWFESA-N
XLogP3.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine (CID 146276261) is (1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine is C=CN/C=C(/C)C(=C)NC1CCC(CC)C1.
What is the InChIKey of (1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine?
The InChIKey is UJVOSLGEXSLVQO-KHPPLWFESA-N. The full InChI is InChI=1S/C14H24N2/c1-5-13-7-8-14(9-13)16-12(4)11(3)10-15-6-2/h6,10,13-16H,2,4-5,7-9H2,1,3H3/b11-10-.
What are the key properties of (1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine?
(1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-N-ethenyl-3-N-(3-ethylcyclopentyl)-2-methylbuta-1,3-diene-1,3-diamine is sourced from PubChem (CID 146276261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).